4-N-(3-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine

C18H16Cl2N4 — CID 112891823

IUPAC4-N-(3-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1c(Cl)cccc1Nc1ccnc(NCc2ccccc2Cl)n1
InChIInChI=1S/C18H16Cl2N4/c1-12-14(19)7-4-8-16(12)23-17-9-10-21-18(24-17)22-11-13-5-2-3-6-15(13)20/h2-10H,11H2,1H3,(H2,21,22,23,24)
InChIKeyHTODNPYOYSEZNG-UHFFFAOYSA-N
MW359.26 g/mol
LogP5.45
Rot. Bonds5

About 4-N-(3-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine

4-N-(3-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine (PubChem CID 112891823) has the molecular formula C18H16Cl2N4 and a molecular weight of 359.26 g/mol. Its IUPAC name is 4-N-(3-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
PubChem CID112891823
Molecular FormulaC18H16Cl2N4
Molecular Weight359.26 g/mol
Exact Mass358.08
IUPAC Name4-N-(3-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
SMILESCc1c(Cl)cccc1Nc1ccnc(NCc2ccccc2Cl)n1
InChIInChI=1S/C18H16Cl2N4/c1-12-14(19)7-4-8-16(12)23-17-9-10-21-18(24-17)22-11-13-5-2-3-6-15(13)20/h2-10H,11H2,1H3,(H2,21,22,23,24)
InChIKeyHTODNPYOYSEZNG-UHFFFAOYSA-N
XLogP5.45
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.26
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(4-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891825
ethyl 2-[[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112891869
4-N-[(2-chlorophenyl)methyl]-2-N-methylpyrimidine-2,4-diamine
CID 80786750
4-N-[(2-chlorophenyl)methyl]-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112891701
2-N-tert-butyl-4-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891673
4-N-(2-chlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 84501147
4-N-[(2-chlorophenyl)methyl]-2-N-[(2-methoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 112891638
4-N-(3-chloro-4-fluorophenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112891827
5-N-(3-chloro-2-methylphenyl)-3-N-[(2-fluorophenyl)methyl]-1,2,4-triazine-3,5-diamine
CID 112949785
ethyl 4-[[2-[(2-chlorophenyl)methylamino]pyrimidin-4-yl]amino]benzoate
CID 112891859
4-N-(2,3-dichlorophenyl)-2-N-propylpyrimidine-2,4-diamine
CID 80754827
2-N-[(2-chlorophenyl)methyl]-4-N-[3-(dimethylamino)propyl]pyrimidine-2,4-diamine
CID 112887593

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine (CID 112891823) is 4-N-(3-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine is Cc1c(Cl)cccc1Nc1ccnc(NCc2ccccc2Cl)n1.
What is the InChIKey of 4-N-(3-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is HTODNPYOYSEZNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N4/c1-12-14(19)7-4-8-16(12)23-17-9-10-21-18(24-17)22-11-13-5-2-3-6-15(13)20/h2-10H,11H2,1H3,(H2,21,22,23,24).
What are the key properties of 4-N-(3-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine?
4-N-(3-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 359.26 g/mol, XLogP of 5.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chloro-2-methylphenyl)-2-N-[(2-chlorophenyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 112891823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).