4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine

C17H18N6 — CID 22540968

IUPAC4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
SMILESCc1cc(C)cc(Nc2ncnc(Nc3cccnc3)c2N)c1
InChIInChI=1S/C17H18N6/c1-11-6-12(2)8-14(7-11)23-17-15(18)16(20-10-21-17)22-13-4-3-5-19-9-13/h3-10H,18H2,1-2H3,(H2,20,21,22,23)
InChIKeyMLPFDCWICAOMHI-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.56
Rot. Bonds4

About 4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine

4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine (PubChem CID 22540968) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
PubChem CID22540968
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
SMILESCc1cc(C)cc(Nc2ncnc(Nc3cccnc3)c2N)c1
InChIInChI=1S/C17H18N6/c1-11-6-12(2)8-14(7-11)23-17-15(18)16(20-10-21-17)22-13-4-3-5-19-9-13/h3-10H,18H2,1-2H3,(H2,20,21,22,23)
InChIKeyMLPFDCWICAOMHI-UHFFFAOYSA-N
XLogP3.56
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(5-methyl-2-pyridinyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145493
6-N-(3-chlorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145427
6-N-(3,5-dimethylphenyl)-4-N-(3-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22540962
6-N-(4-propan-2-ylphenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 22547831
6-propan-2-yloxy-4-N-pyridin-3-ylpyrimidine-4,5-diamine
CID 19145475
6-N-(3-chloro-4-fluorophenyl)-4-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145485
4-N-(2,5-difluorophenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145503
4-N-(3,5-dimethylphenyl)-6-N-methylpyrimidine-4,5,6-triamine
CID 22540905
6-(2,2-diphenylhydrazinyl)-4-N-pyridin-3-ylpyrimidine-4,5-diamine
CID 19145412
4-N-(3,5-dimethylphenyl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22540987
4-N-(1-methoxypropan-2-yl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine
CID 19145512
6-N-(4-chlorophenyl)-4-N-(3,5-dimethylphenyl)pyrimidine-4,5,6-triamine
CID 22540995

Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine (CID 22540968) is 4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine is Cc1cc(C)cc(Nc2ncnc(Nc3cccnc3)c2N)c1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
The InChIKey is MLPFDCWICAOMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-11-6-12(2)8-14(7-11)23-17-15(18)16(20-10-21-17)22-13-4-3-5-19-9-13/h3-10H,18H2,1-2H3,(H2,20,21,22,23).
What are the key properties of 4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine?
4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine has a molecular weight of 306.37 g/mol, XLogP of 3.56, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-6-N-pyridin-3-ylpyrimidine-4,5,6-triamine is sourced from PubChem (CID 22540968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).