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

C16H13Cl2N5 — CID 19147893

IUPAC4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccccc2Cl)ncnc1Nc1ccccc1Cl
InChIInChI=1S/C16H13Cl2N5/c17-10-5-1-3-7-12(10)22-15-14(19)16(21-9-20-15)23-13-8-4-2-6-11(13)18/h1-9H,19H2,(H2,20,21,22,23)
InChIKeyUNMAWILRSVQQIG-UHFFFAOYSA-N
MW346.22 g/mol
LogP4.85
Rot. Bonds4

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

4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine (PubChem CID 19147893) has the molecular formula C16H13Cl2N5 and a molecular weight of 346.22 g/mol. Its IUPAC name is 4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine
PubChem CID19147893
Molecular FormulaC16H13Cl2N5
Molecular Weight346.22 g/mol
Exact Mass345.05
IUPAC Name4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine
SMILESNc1c(Nc2ccccc2Cl)ncnc1Nc1ccccc1Cl
InChIInChI=1S/C16H13Cl2N5/c17-10-5-1-3-7-12(10)22-15-14(19)16(21-9-20-15)23-13-8-4-2-6-11(13)18/h1-9H,19H2,(H2,20,21,22,23)
InChIKeyUNMAWILRSVQQIG-UHFFFAOYSA-N
XLogP4.85
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 54.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(2-chlorophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19147903
6-N-(2-chlorophenyl)-4-N-(2,3-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 19143159
6-N-(2-chlorophenyl)-4-N-(2,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22547049
6-N-butyl-4-N-(2-chlorophenyl)pyrimidine-4,5,6-triamine
CID 19134851
4-N-(2-chlorophenyl)-6-(4-chlorophenyl)sulfanylpyrimidine-4,5-diamine
CID 19136581
4-N-(2-chlorophenyl)-6-N-[4-chloro-3-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19147954
6-(4-bromophenoxy)-4-N-(2-chlorophenyl)pyrimidine-4,5-diamine
CID 19147998
ethyl 2-[[5-amino-6-(2-chloroanilino)pyrimidin-4-yl]amino]benzoate
CID 19147988
6-N-(2,3-dichlorophenyl)-4-N-(2,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 19146699
6-(benzotriazol-1-yl)-4-N-(2-chlorophenyl)pyrimidine-4,5-diamine
CID 19148004
N-(2-chlorophenyl)-6-hydrazinyl-5-propan-2-ylpyrimidin-4-amine
CID 80927804
6-(4-benzylpiperazin-1-yl)-4-N-(2-chlorophenyl)pyrimidine-4,5-diamine
CID 19139283

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine?
The IUPAC name of 4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine (CID 19147893) is 4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine is Nc1c(Nc2ccccc2Cl)ncnc1Nc1ccccc1Cl.
What is the InChIKey of 4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine?
The InChIKey is UNMAWILRSVQQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13Cl2N5/c17-10-5-1-3-7-12(10)22-15-14(19)16(21-9-20-15)23-13-8-4-2-6-11(13)18/h1-9H,19H2,(H2,20,21,22,23).
What are the key properties of 4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine?
4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine has a molecular weight of 346.22 g/mol, XLogP of 4.85, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis(2-chlorophenyl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 19147893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).