4-[(cyclopropylamino)methyl]-2-(2-methoxypropyl)-1H-pyrimidin-6-one

C12H19N3O2 — CID 136852170

IUPAC4-[(cyclopropylamino)methyl]-2-(2-methoxypropyl)-1H-pyrimidin-6-one
SMILESCOC(C)Cc1nc(CNC2CC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-8(17-2)5-11-14-10(6-12(16)15-11)7-13-9-3-4-9/h6,8-9,13H,3-5,7H2,1-2H3,(H,14,15,16)
InChIKeyNEDQIDZVESEQSZ-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.60
Rot. Bonds6

About 4-[(cyclopropylamino)methyl]-2-(2-methoxypropyl)-1H-pyrimidin-6-one

4-[(cyclopropylamino)methyl]-2-(2-methoxypropyl)-1H-pyrimidin-6-one (PubChem CID 136852170) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-2-(2-methoxypropyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-2-(2-methoxypropyl)-1H-pyrimidin-6-one
PubChem CID136852170
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name4-[(cyclopropylamino)methyl]-2-(2-methoxypropyl)-1H-pyrimidin-6-one
SMILESCOC(C)Cc1nc(CNC2CC2)cc(=O)[nH]1
InChIInChI=1S/C12H19N3O2/c1-8(17-2)5-11-14-10(6-12(16)15-11)7-13-9-3-4-9/h6,8-9,13H,3-5,7H2,1-2H3,(H,14,15,16)
InChIKeyNEDQIDZVESEQSZ-UHFFFAOYSA-N
XLogP0.60
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(ethylaminomethyl)-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136852165
2-(2-methoxypropyl)-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136852167
4-cyclopropyl-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136730191
2-[cyclohexyl(methoxy)methyl]-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
CID 137017967
4-[(cyclopropylamino)methyl]-2-(oxan-2-ylmethyl)-1H-pyrimidin-6-one
CID 136852169
2-ethyl-4-[(piperidin-3-ylamino)methyl]-1H-pyrimidin-6-one
CID 136740724
2-(2-methoxypropyl)-4-phenyl-1H-pyrimidin-6-one
CID 136964506
2-(4-chloro-2-methoxyphenyl)-4-[(cyclopropylamino)methyl]-1H-pyrimidin-6-one
CID 136873220
4-[(cyclopropylamino)methyl]-2-(3,5-dichlorophenyl)-1H-pyrimidin-6-one
CID 136888750
2-(2-methoxypropyl)-4-(1-methylpyrazol-4-yl)-1H-pyrimidin-6-one
CID 136771714
6-[(cyclopropylamino)methyl]-N-(2-methoxypropyl)pyridin-2-amine
CID 102700710
4-cyclopropyl-5-iodo-2-(2-methoxypropyl)-1H-pyrimidin-6-one
CID 136730224

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-2-(2-methoxypropyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-[(cyclopropylamino)methyl]-2-(2-methoxypropyl)-1H-pyrimidin-6-one (CID 136852170) is 4-[(cyclopropylamino)methyl]-2-(2-methoxypropyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-2-(2-methoxypropyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-2-(2-methoxypropyl)-1H-pyrimidin-6-one is COC(C)Cc1nc(CNC2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-2-(2-methoxypropyl)-1H-pyrimidin-6-one?
The InChIKey is NEDQIDZVESEQSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-8(17-2)5-11-14-10(6-12(16)15-11)7-13-9-3-4-9/h6,8-9,13H,3-5,7H2,1-2H3,(H,14,15,16).
What are the key properties of 4-[(cyclopropylamino)methyl]-2-(2-methoxypropyl)-1H-pyrimidin-6-one?
4-[(cyclopropylamino)methyl]-2-(2-methoxypropyl)-1H-pyrimidin-6-one has a molecular weight of 237.30 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-2-(2-methoxypropyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136852170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).