2-cyclopropyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one

C15H23N3O2 — CID 136976110

IUPAC2-cyclopropyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2(O)CCCCCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C15H23N3O2/c19-13-9-12(17-14(18-13)11-5-6-11)16-10-15(20)7-3-1-2-4-8-15/h9,11,20H,1-8,10H2,(H2,16,17,18,19)
InChIKeyKTVLHIADXZSZRU-UHFFFAOYSA-N
MW277.37 g/mol
LogP2.14
Rot. Bonds4

About 2-cyclopropyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136976110) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 2-cyclopropyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136976110
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name2-cyclopropyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one
SMILESO=c1cc(NCC2(O)CCCCCC2)nc(C2CC2)[nH]1
InChIInChI=1S/C15H23N3O2/c19-13-9-12(17-14(18-13)11-5-6-11)16-10-15(20)7-3-1-2-4-8-15/h9,11,20H,1-8,10H2,(H2,16,17,18,19)
InChIKeyKTVLHIADXZSZRU-UHFFFAOYSA-N
XLogP2.14
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956755
4-[(1-hydroxycycloheptyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956759
4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one
CID 136956760
4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956774
4-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2-methyl-1H-pyrimidin-6-one
CID 136956812
2-ethyl-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136976076
2-cyclopropyl-4-[(1-hydroxycyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136976078
2-ethyl-4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976081
2-cyclopropyl-4-[(1-hydroxycyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976082
4-[(1-hydroxycyclohexyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976084
2-ethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976085
2-cyclopropyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976087

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one (CID 136976110) is 2-cyclopropyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one is O=c1cc(NCC2(O)CCCCCC2)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is KTVLHIADXZSZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c19-13-9-12(17-14(18-13)11-5-6-11)16-10-15(20)7-3-1-2-4-8-15/h9,11,20H,1-8,10H2,(H2,16,17,18,19).
What are the key properties of 2-cyclopropyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 277.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[(1-hydroxycycloheptyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).