6-(azepan-1-yl)-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

C15H22N6 — CID 175880742

IUPAC6-(azepan-1-yl)-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2ncnc(N3CCCCCC3)c2C)n[nH]1
InChIInChI=1S/C15H22N6/c1-11-9-13(20-19-11)18-14-12(2)15(17-10-16-14)21-7-5-3-4-6-8-21/h9-10H,3-8H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyOUUYALAVMWOVCB-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.94
Rot. Bonds3

About 6-(azepan-1-yl)-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine

6-(azepan-1-yl)-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 175880742) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 6-(azepan-1-yl)-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(azepan-1-yl)-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID175880742
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name6-(azepan-1-yl)-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2ncnc(N3CCCCCC3)c2C)n[nH]1
InChIInChI=1S/C15H22N6/c1-11-9-13(20-19-11)18-14-12(2)15(17-10-16-14)21-7-5-3-4-6-8-21/h9-10H,3-8H2,1-2H3,(H2,16,17,18,19,20)
InChIKeyOUUYALAVMWOVCB-UHFFFAOYSA-N
XLogP2.94
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 175880712
5-methyl-2-(4-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine
CID 154008498
6-chloro-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 175880737
methyl-[4-[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperidin-1-ylpyrimidin-2-yl]sulfanylphenyl]carbamic acid
CID 155355366
N-[4-[5-methyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]-6-piperidin-1-ylpyrimidin-2-yl]sulfanylphenyl]cyclopropanecarboxamide
CID 122625482
5-methyl-6-pyrrolidin-1-ylpyrimidin-4-amine
CID 80767389
2-(2-fluoro-4-methylsulfonylphenyl)sulfanyl-5-methoxy-N-(5-methyl-1H-pyrazol-3-yl)-6-piperidin-1-ylpyrimidin-4-amine
CID 134363292
[5-methyl-6-(4-methyl-1,4-diazepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80931874
N,5-dimethyl-6-(1,4-thiazepan-4-yl)pyrimidin-4-amine
CID 80795778
6-(azepan-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 23483712
2-chloro-5-fluoro-N-(5-methyl-1H-pyrazol-3-yl)-6-morpholin-4-ylpyrimidin-4-amine
CID 50993882
6-(azetidin-1-yl)-2-cyclohexyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 24991599

Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The IUPAC name of 6-(azepan-1-yl)-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 175880742) is 6-(azepan-1-yl)-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine.
What is the SMILES notation for 6-(azepan-1-yl)-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The canonical SMILES for 6-(azepan-1-yl)-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is Cc1cc(Nc2ncnc(N3CCCCCC3)c2C)n[nH]1.
What is the InChIKey of 6-(azepan-1-yl)-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
The InChIKey is OUUYALAVMWOVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-11-9-13(20-19-11)18-14-12(2)15(17-10-16-14)21-7-5-3-4-6-8-21/h9-10H,3-8H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of 6-(azepan-1-yl)-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine?
6-(azepan-1-yl)-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine has a molecular weight of 286.38 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 175880742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).