N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-4-pyridin-4-ylpyrimidin-2-amine

C18H22N6 — CID 72854089

IUPACN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-4-pyridin-4-ylpyrimidin-2-amine
SMILESCc1cc(C)n(CCCN(C)c2nccc(-c3ccncc3)n2)n1
InChIInChI=1S/C18H22N6/c1-14-13-15(2)24(22-14)12-4-11-23(3)18-20-10-7-17(21-18)16-5-8-19-9-6-16/h5-10,13H,4,11-12H2,1-3H3
InChIKeyDOLMMWNBIXSOSO-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.88
Rot. Bonds6

About N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-4-pyridin-4-ylpyrimidin-2-amine

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-4-pyridin-4-ylpyrimidin-2-amine (PubChem CID 72854089) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-4-pyridin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-4-pyridin-4-ylpyrimidin-2-amine
PubChem CID72854089
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC NameN-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-4-pyridin-4-ylpyrimidin-2-amine
SMILESCc1cc(C)n(CCCN(C)c2nccc(-c3ccncc3)n2)n1
InChIInChI=1S/C18H22N6/c1-14-13-15(2)24(22-14)12-4-11-23(3)18-20-10-7-17(21-18)16-5-8-19-9-6-16/h5-10,13H,4,11-12H2,1-3H3
InChIKeyDOLMMWNBIXSOSO-UHFFFAOYSA-N
XLogP2.88
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-4-pyridin-4-ylpyrimidin-2-amine?
The IUPAC name of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-4-pyridin-4-ylpyrimidin-2-amine (CID 72854089) is N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-4-pyridin-4-ylpyrimidin-2-amine.
What is the SMILES notation for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-4-pyridin-4-ylpyrimidin-2-amine?
The canonical SMILES for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-4-pyridin-4-ylpyrimidin-2-amine is Cc1cc(C)n(CCCN(C)c2nccc(-c3ccncc3)n2)n1.
What is the InChIKey of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-4-pyridin-4-ylpyrimidin-2-amine?
The InChIKey is DOLMMWNBIXSOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-14-13-15(2)24(22-14)12-4-11-23(3)18-20-10-7-17(21-18)16-5-8-19-9-6-16/h5-10,13H,4,11-12H2,1-3H3.
What are the key properties of N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-4-pyridin-4-ylpyrimidin-2-amine?
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-4-pyridin-4-ylpyrimidin-2-amine has a molecular weight of 322.42 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-N-methyl-4-pyridin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 72854089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).