2-(1-methoxycyclopentyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one

C15H25N3O2 — CID 136773873

IUPAC2-(1-methoxycyclopentyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
SMILESCOC1(c2nc(CNCC(C)C)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C15H25N3O2/c1-11(2)9-16-10-12-8-13(19)18-14(17-12)15(20-3)6-4-5-7-15/h8,11,16H,4-7,9-10H2,1-3H3,(H,17,18,19)
InChIKeyXUEKEHFEJWMKNW-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.93
Rot. Bonds6

About 2-(1-methoxycyclopentyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one

2-(1-methoxycyclopentyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one (PubChem CID 136773873) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
PubChem CID136773873
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-(1-methoxycyclopentyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
SMILESCOC1(c2nc(CNCC(C)C)cc(=O)[nH]2)CCCC1
InChIInChI=1S/C15H25N3O2/c1-11(2)9-16-10-12-8-13(19)18-14(17-12)15(20-3)6-4-5-7-15/h8,11,16H,4-7,9-10H2,1-3H3,(H,17,18,19)
InChIKeyXUEKEHFEJWMKNW-UHFFFAOYSA-N
XLogP1.93
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 135978194
2-cyclopentyl-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136095276
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
4-[(2-methoxyethylamino)methyl]-2-(4-methylcyclohexyl)-1H-pyrimidin-6-one
CID 136095530
2-cyclopentyl-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one
CID 136095571
2-cyclohexyl-4-[(2-methoxyethylamino)methyl]-1H-pyrimidin-6-one
CID 136095618
2-cyclopentyl-4-(ethylaminomethyl)-1H-pyrimidin-6-one
CID 136095752
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
4-[(2-methylpropylamino)methyl]-2-(oxolan-2-yl)-1H-pyrimidin-6-one
CID 136274203
2-(2-methoxypropan-2-yl)-4-(methylaminomethyl)-1H-pyrimidin-6-one
CID 136279384

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopentyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-(1-methoxycyclopentyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one (CID 136773873) is 2-(1-methoxycyclopentyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1-methoxycyclopentyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1-methoxycyclopentyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one is COC1(c2nc(CNCC(C)C)cc(=O)[nH]2)CCCC1.
What is the InChIKey of 2-(1-methoxycyclopentyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is XUEKEHFEJWMKNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)9-16-10-12-8-13(19)18-14(17-12)15(20-3)6-4-5-7-15/h8,11,16H,4-7,9-10H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(1-methoxycyclopentyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one?
2-(1-methoxycyclopentyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 279.38 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)-4-[(2-methylpropylamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136773873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).