2-(1-methoxycyclopentyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one

C12H19N3O2 — CID 136773868

IUPAC2-(1-methoxycyclopentyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1cc(=O)[nH]c(C2(OC)CCCC2)n1
InChIInChI=1S/C12H19N3O2/c1-13-8-9-7-10(16)15-11(14-9)12(17-2)5-3-4-6-12/h7,13H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyUPXABDCXZYWIMZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.90
Rot. Bonds4

About 2-(1-methoxycyclopentyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one

2-(1-methoxycyclopentyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one (PubChem CID 136773868) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
PubChem CID136773868
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(1-methoxycyclopentyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
SMILESCNCc1cc(=O)[nH]c(C2(OC)CCCC2)n1
InChIInChI=1S/C12H19N3O2/c1-13-8-9-7-10(16)15-11(14-9)12(17-2)5-3-4-6-12/h7,13H,3-6,8H2,1-2H3,(H,14,15,16)
InChIKeyUPXABDCXZYWIMZ-UHFFFAOYSA-N
XLogP0.90
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-methoxyethylamino)methyl]-2-(3-methylbutyl)-1H-pyrimidin-6-one
CID 136095485
2-cyclopentyl-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
CID 136095487
2-cyclohexyl-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
CID 136095618
4-[(2-methoxyethylamino)methyl]-2-(3-methylcyclopentyl)-1H-pyrimidin-6-one
CID 136249997
2-(3-ethylcyclopentyl)-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
CID 136252057
2-(2-methoxypropan-2-yl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 136279384
4-(ethylaminomethyl)-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 136279386
2-(2-methoxypropan-2-yl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136279387
2-(2-methoxypropan-2-yl)-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136279391
4-[(tert-butylamino)methyl]-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 136279394
2-(2-methoxypropan-2-yl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 136279397
4-[(2-methoxyethylamino)methyl]-2-(2-methoxypropan-2-yl)-1H-pyrimidin-6-one
CID 136279400

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopentyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxycyclopentyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one (CID 136773868) is 2-(1-methoxycyclopentyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxycyclopentyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxycyclopentyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one is CNCc1cc(=O)[nH]c(C2(OC)CCCC2)n1.
What is the InChIKey of 2-(1-methoxycyclopentyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one?
The InChIKey is UPXABDCXZYWIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-13-8-9-7-10(16)15-11(14-9)12(17-2)5-3-4-6-12/h7,13H,3-6,8H2,1-2H3,(H,14,15,16).
What are the key properties of 2-(1-methoxycyclopentyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one?
2-(1-methoxycyclopentyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)-4-(methylaminomethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136773868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).