1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol

C15H24N4O — CID 107409033

IUPAC1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol
SMILESCNc1cc(N2CCCC(C)(O)CC2)nc(C2CC2)n1
InChIInChI=1S/C15H24N4O/c1-15(20)6-3-8-19(9-7-15)13-10-12(16-2)17-14(18-13)11-4-5-11/h10-11,20H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyUHKXVGLLKGNLCM-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.14
Rot. Bonds3

About 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol

1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol (PubChem CID 107409033) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol
PubChem CID107409033
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol
SMILESCNc1cc(N2CCCC(C)(O)CC2)nc(C2CC2)n1
InChIInChI=1S/C15H24N4O/c1-15(20)6-3-8-19(9-7-15)13-10-12(16-2)17-14(18-13)11-4-5-11/h10-11,20H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyUHKXVGLLKGNLCM-UHFFFAOYSA-N
XLogP2.14
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol with MolForge

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Related Compounds

1-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-4-methylpiperidin-4-ol
CID 81109226
6-(8-azaspiro[4.5]decan-8-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine
CID 80958988
[2-cyclopropyl-6-(4,4-dimethylazepan-1-yl)pyrimidin-4-yl]hydrazine
CID 80968250
2-cyclopropyl-N-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-amine
CID 80955969
2-cyclopropyl-N-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 80956626
4-methyl-1-[6-(methylamino)-2-propan-2-ylpyrimidin-4-yl]piperidin-4-ol
CID 81107552
2-cyclopropyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 80959321
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]piperidine-4-carboxamide
CID 80957124
2-cyclopropyl-6-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpyrimidin-4-amine
CID 80960691
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-1,4-diazepan-5-one
CID 80957470
4-methyl-1-[6-(methylamino)pyrimidin-4-yl]piperidin-4-ol
CID 81109322
1-[6-(ethylamino)-2-methylsulfanylpyrimidin-4-yl]-4-methylazepan-4-ol
CID 107409102

Frequently Asked Questions

What is the IUPAC name of 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol?
The IUPAC name of 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol (CID 107409033) is 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol.
What is the SMILES notation for 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol?
The canonical SMILES for 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol is CNc1cc(N2CCCC(C)(O)CC2)nc(C2CC2)n1.
What is the InChIKey of 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol?
The InChIKey is UHKXVGLLKGNLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-15(20)6-3-8-19(9-7-15)13-10-12(16-2)17-14(18-13)11-4-5-11/h10-11,20H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol?
1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol has a molecular weight of 276.38 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-cyclopropyl-6-(methylamino)pyrimidin-4-yl]-4-methylazepan-4-ol is sourced from PubChem (CID 107409033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).