N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine

C21H24N6 — CID 18545620

IUPACN-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3ccc(N4CCNCC4)nc3)n2)c1
InChIInChI=1S/C21H24N6/c1-15-11-16(2)13-18(12-15)25-21-23-6-5-19(26-21)17-3-4-20(24-14-17)27-9-7-22-8-10-27/h3-6,11-14,22H,7-10H2,1-2H3,(H,23,25,26)
InChIKeyNVSFYQFJHLYNJR-UHFFFAOYSA-N
MW360.47 g/mol
LogP3.31
Rot. Bonds4

About N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine

N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine (PubChem CID 18545620) has the molecular formula C21H24N6 and a molecular weight of 360.47 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
PubChem CID18545620
Molecular FormulaC21H24N6
Molecular Weight360.47 g/mol
Exact Mass360.21
IUPAC NameN-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-c3ccc(N4CCNCC4)nc3)n2)c1
InChIInChI=1S/C21H24N6/c1-15-11-16(2)13-18(12-15)25-21-23-6-5-19(26-21)17-3-4-20(24-14-17)27-9-7-22-8-10-27/h3-6,11-14,22H,7-10H2,1-2H3,(H,23,25,26)
InChIKeyNVSFYQFJHLYNJR-UHFFFAOYSA-N
XLogP3.31
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine (CID 18545620) is N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-c3ccc(N4CCNCC4)nc3)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine?
The InChIKey is NVSFYQFJHLYNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6/c1-15-11-16(2)13-18(12-15)25-21-23-6-5-19(26-21)17-3-4-20(24-14-17)27-9-7-22-8-10-27/h3-6,11-14,22H,7-10H2,1-2H3,(H,23,25,26).
What are the key properties of N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine?
N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine has a molecular weight of 360.47 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 18545620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).