2-chloro-4-methylpyrimidine;2,4-dichloropyrimidine;5-iodo-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;methane;4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylaniline;N-[3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylphenyl]acetamide

C64H86Cl3IN22OS2 — CID 159329592

About 2-chloro-4-methylpyrimidine;2,4-dichloropyrimidine;5-iodo-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;methane;4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylaniline;N-[3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylphenyl]acetamide

2-chloro-4-methylpyrimidine;2,4-dichloropyrimidine;5-iodo-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;methane;4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylaniline;N-[3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylphenyl]acetamide (PubChem CID 159329592) has the molecular formula C64H86Cl3IN22OS2 and a molecular weight of 1476.94 g/mol. Its IUPAC name is 2-chloro-4-methylpyrimidine;2,4-dichloropyrimidine;5-iodo-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;methane;4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylaniline;N-[3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylphenyl]acetamide.

Molecular Properties

• Compound Name: 2-chloro-4-methylpyrimidine;2,4-dichloropyrimidine;5-iodo-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;methane;4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylaniline;N-[3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylphenyl]acetamide
• PubChem CID: 159329592
• Molecular Formula: C64H86Cl3IN22OS2
• Molecular Weight: 1476.94 g/mol
• Exact Mass: 1474.49
• IUPAC Name: 2-chloro-4-methylpyrimidine;2,4-dichloropyrimidine;5-iodo-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;methane;4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylaniline;N-[3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylphenyl]acetamide
• SMILES: C.CC(=O)Nc1cccc(Sc2cnc(N3CCN(C)CC3)nc2C)c1.Cc1ccnc(Cl)n1.Cc1ccnc(N2CCN(C)CC2)n1.Cc1nc(N2CCN(C)CC2)ncc1I.Cc1nc(N2CCN(C)CC2)ncc1Sc1cccc(N)c1.Clc1ccnc(Cl)n1
• InChI: InChI=1S/C18H23N5OS.C16H21N5S.C10H15IN4.C10H16N4.C5H5ClN2.C4H2Cl2N2.CH4/c1-13-17(25-16-6-4-5-15(11-16)21-14(2)24)12-19-18(20-13)23-9-7-22(3)8-10-23;1-12-15(22-14-5-3-4-13(17)10-14)11-18-16(19-12)21-8-6-20(2)7-9-21;1-8-9(11)7-12-10(13-8)15-5-3-14(2)4-6-15;1-9-3-4-11-10(12-9)14-7-5-13(2)6-8-14;1-4-2-3-7-5(6)8-4;5-3-1-2-7-4(6)8-3;/h4-6,11-12H,7-10H2,1-3H3,(H,21,24);3-5,10-11H,6-9,17H2,1-2H3;7H,3-6H2,1-2H3;3-4H,5-8H2,1-2H3;2-3H,1H3;1-2H;1H4
• InChIKey: LEUPPZFQRAKZOX-UHFFFAOYSA-N
• XLogP: 10.45
• TPSA: 235.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 24
• Rotatable Bonds: 9
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1476.94
LogP ≤ 5	10.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methylpyrimidine;2,4-dichloropyrimidine;5-iodo-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;methane;4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylaniline;N-[3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylphenyl]acetamide?

The IUPAC name of 2-chloro-4-methylpyrimidine;2,4-dichloropyrimidine;5-iodo-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;methane;4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylaniline;N-[3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylphenyl]acetamide (CID 159329592) is 2-chloro-4-methylpyrimidine;2,4-dichloropyrimidine;5-iodo-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;methane;4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylaniline;N-[3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylphenyl]acetamide.

What is the SMILES notation for 2-chloro-4-methylpyrimidine;2,4-dichloropyrimidine;5-iodo-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;methane;4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylaniline;N-[3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylphenyl]acetamide?

The canonical SMILES for 2-chloro-4-methylpyrimidine;2,4-dichloropyrimidine;5-iodo-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;methane;4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylaniline;N-[3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylphenyl]acetamide is C.CC(=O)Nc1cccc(Sc2cnc(N3CCN(C)CC3)nc2C)c1.Cc1ccnc(Cl)n1.Cc1ccnc(N2CCN(C)CC2)n1.Cc1nc(N2CCN(C)CC2)ncc1I.Cc1nc(N2CCN(C)CC2)ncc1Sc1cccc(N)c1.Clc1ccnc(Cl)n1.

What is the InChIKey of 2-chloro-4-methylpyrimidine;2,4-dichloropyrimidine;5-iodo-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;methane;4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylaniline;N-[3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylphenyl]acetamide?

The InChIKey is LEUPPZFQRAKZOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5OS.C16H21N5S.C10H15IN4.C10H16N4.C5H5ClN2.C4H2Cl2N2.CH4/c1-13-17(25-16-6-4-5-15(11-16)21-14(2)24)12-19-18(20-13)23-9-7-22(3)8-10-23;1-12-15(22-14-5-3-4-13(17)10-14)11-18-16(19-12)21-8-6-20(2)7-9-21;1-8-9(11)7-12-10(13-8)15-5-3-14(2)4-6-15;1-9-3-4-11-10(12-9)14-7-5-13(2)6-8-14;1-4-2-3-7-5(6)8-4;5-3-1-2-7-4(6)8-3;/h4-6,11-12H,7-10H2,1-3H3,(H,21,24);3-5,10-11H,6-9,17H2,1-2H3;7H,3-6H2,1-2H3;3-4H,5-8H2,1-2H3;2-3H,1H3;1-2H;1H4.

What are the key properties of 2-chloro-4-methylpyrimidine;2,4-dichloropyrimidine;5-iodo-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;methane;4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylaniline;N-[3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylphenyl]acetamide?

2-chloro-4-methylpyrimidine;2,4-dichloropyrimidine;5-iodo-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;methane;4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylaniline;N-[3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylphenyl]acetamide has a molecular weight of 1476.94 g/mol, XLogP of 10.45, 9 rotatable bonds, 2 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-4-methylpyrimidine;2,4-dichloropyrimidine;5-iodo-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;methane;4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine;3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylaniline;N-[3-[4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]sulfanylphenyl]acetamide is sourced from PubChem (CID 159329592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).