N-(3,5-dimethylphenyl)-4-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyrimidin-2-amine

C20H25N7 — CID 155514936

IUPACN-(3,5-dimethylphenyl)-4-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3c(C)nnn3C3CCNCC3)n2)c1
InChIInChI=1S/C20H25N7/c1-13-10-14(2)12-16(11-13)23-20-22-9-6-18(24-20)19-15(3)25-26-27(19)17-4-7-21-8-5-17/h6,9-12,17,21H,4-5,7-8H2,1-3H3,(H,22,23,24)
InChIKeyCIBHWLGHOAYWGR-UHFFFAOYSA-N
MW363.47 g/mol
LogP3.33
Rot. Bonds4

About N-(3,5-dimethylphenyl)-4-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyrimidin-2-amine

N-(3,5-dimethylphenyl)-4-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyrimidin-2-amine (PubChem CID 155514936) has the molecular formula C20H25N7 and a molecular weight of 363.47 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyrimidin-2-amine
PubChem CID155514936
Molecular FormulaC20H25N7
Molecular Weight363.47 g/mol
Exact Mass363.22
IUPAC NameN-(3,5-dimethylphenyl)-4-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3c(C)nnn3C3CCNCC3)n2)c1
InChIInChI=1S/C20H25N7/c1-13-10-14(2)12-16(11-13)23-20-22-9-6-18(24-20)19-15(3)25-26-27(19)17-4-7-21-8-5-17/h6,9-12,17,21H,4-5,7-8H2,1-3H3,(H,22,23,24)
InChIKeyCIBHWLGHOAYWGR-UHFFFAOYSA-N
XLogP3.33
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyrimidin-2-amine (CID 155514936) is N-(3,5-dimethylphenyl)-4-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-c3c(C)nnn3C3CCNCC3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyrimidin-2-amine?
The InChIKey is CIBHWLGHOAYWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7/c1-13-10-14(2)12-16(11-13)23-20-22-9-6-18(24-20)19-15(3)25-26-27(19)17-4-7-21-8-5-17/h6,9-12,17,21H,4-5,7-8H2,1-3H3,(H,22,23,24).
What are the key properties of N-(3,5-dimethylphenyl)-4-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyrimidin-2-amine?
N-(3,5-dimethylphenyl)-4-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyrimidin-2-amine has a molecular weight of 363.47 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(5-methyl-3-piperidin-4-yltriazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 155514936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).