1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-propylthiourea

C19H26N6S — CID 100774926

IUPAC1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-propylthiourea
SMILESCCCNC(=S)Nc1nc(C)cc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C19H26N6S/c1-3-9-20-19(26)23-18-21-15(2)14-17(22-18)25-12-10-24(11-13-25)16-7-5-4-6-8-16/h4-8,14H,3,9-13H2,1-2H3,(H2,20,21,22,23,26)
InChIKeyWXWZAQGZGFOFBU-UHFFFAOYSA-N
MW370.53 g/mol
LogP2.81
Rot. Bonds5

About 1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-propylthiourea

1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-propylthiourea (PubChem CID 100774926) has the molecular formula C19H26N6S and a molecular weight of 370.53 g/mol. Its IUPAC name is 1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-propylthiourea.

Molecular Properties

Compound Name1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-propylthiourea
PubChem CID100774926
Molecular FormulaC19H26N6S
Molecular Weight370.53 g/mol
Exact Mass370.19
IUPAC Name1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-propylthiourea
SMILESCCCNC(=S)Nc1nc(C)cc(N2CCN(c3ccccc3)CC2)n1
InChIInChI=1S/C19H26N6S/c1-3-9-20-19(26)23-18-21-15(2)14-17(22-18)25-12-10-24(11-13-25)16-7-5-4-6-8-16/h4-8,14H,3,9-13H2,1-2H3,(H2,20,21,22,23,26)
InChIKeyWXWZAQGZGFOFBU-UHFFFAOYSA-N
XLogP2.81
TPSA56.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxypropyl)-3-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]thiourea
CID 100777403
1-[(4-methylphenyl)methyl]-3-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]thiourea
CID 100783061
1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-(pyridin-3-ylmethyl)thiourea
CID 100782486
1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-[(1S)-1-phenylethyl]thiourea
CID 100785160
1-[4-chloro-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-ethylthiourea
CID 100774446
1-(2-methoxyethyl)-3-[4-(4-phenylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-yl]thiourea
CID 100776765
1-(4,6-dipyrrolidin-1-ylpyrimidin-2-yl)-3-propylthiourea
CID 100774538
4-methyl-N-pentyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-amine
CID 112922177
1-[4,6-bis(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-[3-(4-fluorophenyl)propyl]thiourea
CID 100786048
1-(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)-3-(2-morpholin-4-ylethyl)thiourea
CID 100777795
1-[4,6-bis(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-[(4-fluorophenyl)methyl]thiourea
CID 100783437
1-methyl-3-[4-(4-phenylpiperazin-1-yl)-6-pyrrolidin-1-ylpyrimidin-2-yl]thiourea
CID 100773218

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-propylthiourea?
The IUPAC name of 1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-propylthiourea (CID 100774926) is 1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-propylthiourea.
What is the SMILES notation for 1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-propylthiourea?
The canonical SMILES for 1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-propylthiourea is CCCNC(=S)Nc1nc(C)cc(N2CCN(c3ccccc3)CC2)n1.
What is the InChIKey of 1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-propylthiourea?
The InChIKey is WXWZAQGZGFOFBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6S/c1-3-9-20-19(26)23-18-21-15(2)14-17(22-18)25-12-10-24(11-13-25)16-7-5-4-6-8-16/h4-8,14H,3,9-13H2,1-2H3,(H2,20,21,22,23,26).
What are the key properties of 1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-propylthiourea?
1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-propylthiourea has a molecular weight of 370.53 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]-3-propylthiourea is sourced from PubChem (CID 100774926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).