6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine

C18H18ClN5 — CID 19143159

IUPAC6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(Nc3ccccc3Cl)c2N)c1C
InChIInChI=1S/C18H18ClN5/c1-11-6-5-9-14(12(11)2)23-17-16(20)18(22-10-21-17)24-15-8-4-3-7-13(15)19/h3-10H,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyWCCAKWDKHVNGMJ-UHFFFAOYSA-N
MW339.83 g/mol
LogP4.82
Rot. Bonds4

About 6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine

6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine (PubChem CID 19143159) has the molecular formula C18H18ClN5 and a molecular weight of 339.83 g/mol. Its IUPAC name is 6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
PubChem CID19143159
Molecular FormulaC18H18ClN5
Molecular Weight339.83 g/mol
Exact Mass339.13
IUPAC Name6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
SMILESCc1cccc(Nc2ncnc(Nc3ccccc3Cl)c2N)c1C
InChIInChI=1S/C18H18ClN5/c1-11-6-5-9-14(12(11)2)23-17-16(20)18(22-10-21-17)24-15-8-4-3-7-13(15)19/h3-10H,20H2,1-2H3,(H2,21,22,23,24)
InChIKeyWCCAKWDKHVNGMJ-UHFFFAOYSA-N
XLogP4.82
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19147893
4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19137100
6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547049
4-N-(2,3-dimethylphenyl)-6-N-ethylpyrimidine-4,5,6-triamine
CID 19135206
6-N-benzyl-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19136168
6-N-(2,3-dimethylphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19143141
4-N-(3-chloro-2-methylphenyl)-6-N-[2-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 22545302
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143265
6-N-(2,3-dimethylphenyl)-4-N-quinolin-5-ylpyrimidine-4,5,6-triamine
CID 19143217
3-chloro-1-N-(2,3-dimethylphenyl)benzene-1,2-diamine
CID 104834056
6-N-(2,3-dimethylphenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,5,6-triamine
CID 22541866
4-N-(3-chloro-2-methylphenyl)-6-N-(2,3-dimethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23483963

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine (CID 19143159) is 6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine is Cc1cccc(Nc2ncnc(Nc3ccccc3Cl)c2N)c1C.
What is the InChIKey of 6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine?
The InChIKey is WCCAKWDKHVNGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5/c1-11-6-5-9-14(12(11)2)23-17-16(20)18(22-10-21-17)24-15-8-4-3-7-13(15)19/h3-10H,20H2,1-2H3,(H2,21,22,23,24).
What are the key properties of 6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine?
6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine has a molecular weight of 339.83 g/mol, XLogP of 4.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19143159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).