4-N-(5-chloro-2-methylphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

C17H16ClN5 — CID 112860950

IUPAC4-N-(5-chloro-2-methylphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Cl)cc1Nc1cc(NCc2ccncc2)ncn1
InChIInChI=1S/C17H16ClN5/c1-12-2-3-14(18)8-15(12)23-17-9-16(21-11-22-17)20-10-13-4-6-19-7-5-13/h2-9,11H,10H2,1H3,(H2,20,21,22,23)
InChIKeyHVPCRRSIZLSTBX-UHFFFAOYSA-N
MW325.80 g/mol
LogP4.19
Rot. Bonds5

About 4-N-(5-chloro-2-methylphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine

4-N-(5-chloro-2-methylphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (PubChem CID 112860950) has the molecular formula C17H16ClN5 and a molecular weight of 325.80 g/mol. Its IUPAC name is 4-N-(5-chloro-2-methylphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(5-chloro-2-methylphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
PubChem CID112860950
Molecular FormulaC17H16ClN5
Molecular Weight325.80 g/mol
Exact Mass325.11
IUPAC Name4-N-(5-chloro-2-methylphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
SMILESCc1ccc(Cl)cc1Nc1cc(NCc2ccncc2)ncn1
InChIInChI=1S/C17H16ClN5/c1-12-2-3-14(18)8-15(12)23-17-9-16(21-11-22-17)20-10-13-4-6-19-7-5-13/h2-9,11H,10H2,1H3,(H2,20,21,22,23)
InChIKeyHVPCRRSIZLSTBX-UHFFFAOYSA-N
XLogP4.19
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(5-chloro-2-methylphenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873602
2-N-(5-chloro-2-methylphenyl)-4-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112893742
4-N-(5-chloro-2-methylphenyl)-6-N-prop-2-enylpyrimidine-4,6-diamine
CID 112854987
4-N-(4-chloro-2-methylphenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873603
4-N-(4-chloro-2,5-dimethoxyphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112861015
6-N-benzyl-4-N-(2,5-dimethylphenyl)pyrimidine-4,6-diamine
CID 112858790
4-N-(5-chloro-2-methylphenyl)-2-N-[(4-chlorophenyl)methyl]pyrimidine-2,4-diamine
CID 112892059
4-N-(2,4-dichlorophenyl)-2-methyl-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 112873662
4-N-(5-chloro-2-methylphenyl)-6-N-(2-fluorophenyl)pyrimidine-4,6-diamine
CID 112865622
6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-(4-chloro-2-methylphenyl)pyrimidine-4,6-diamine
CID 112860401
4-N-(5-chloro-2-methylphenyl)-6-N-[(4-chlorophenyl)methyl]pyrimidine-4,5,6-triamine
CID 22547277
4-N-(4-chloro-2-methylphenyl)-6-methyl-2-N-(pyridin-4-ylmethyl)pyrimidine-2,4-diamine
CID 112919954

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-chloro-2-methylphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(5-chloro-2-methylphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine (CID 112860950) is 4-N-(5-chloro-2-methylphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(5-chloro-2-methylphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(5-chloro-2-methylphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is Cc1ccc(Cl)cc1Nc1cc(NCc2ccncc2)ncn1.
What is the InChIKey of 4-N-(5-chloro-2-methylphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
The InChIKey is HVPCRRSIZLSTBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5/c1-12-2-3-14(18)8-15(12)23-17-9-16(21-11-22-17)20-10-13-4-6-19-7-5-13/h2-9,11H,10H2,1H3,(H2,20,21,22,23).
What are the key properties of 4-N-(5-chloro-2-methylphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine?
4-N-(5-chloro-2-methylphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine has a molecular weight of 325.80 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-chloro-2-methylphenyl)-6-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 112860950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).