2-(methoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one

C9H15N3O2 — CID 136818885

IUPAC2-(methoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one
SMILESCCCNc1cc(=O)[nH]c(COC)n1
InChIInChI=1S/C9H15N3O2/c1-3-4-10-7-5-9(13)12-8(11-7)6-14-2/h5H,3-4,6H2,1-2H3,(H2,10,11,12,13)
InChIKeyWPPXCMVFJNECIT-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.74
Rot. Bonds5

About 2-(methoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one

2-(methoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one (PubChem CID 136818885) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(methoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one
PubChem CID136818885
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(methoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one
SMILESCCCNc1cc(=O)[nH]c(COC)n1
InChIInChI=1S/C9H15N3O2/c1-3-4-10-7-5-9(13)12-8(11-7)6-14-2/h5H,3-4,6H2,1-2H3,(H2,10,11,12,13)
InChIKeyWPPXCMVFJNECIT-UHFFFAOYSA-N
XLogP0.74
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136750490
4-butyl-2-(methoxymethyl)-1H-pyrimidin-6-one
CID 136805677
2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772464
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]ethyl carbamate
CID 136976721
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974133
2-ethyl-4-(4-hydroxypentylamino)-1H-pyrimidin-6-one
CID 136902417
2-ethyl-4-(pent-4-ynylamino)-1H-pyrimidin-6-one
CID 136882486
4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540
ethyl 4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate
CID 136959024
2-ethyl-4-[4-[methyl(propan-2-yl)amino]butylamino]-1H-pyrimidin-6-one
CID 136975212
2-ethyl-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one
CID 137016467
4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136768848

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-(methoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one (CID 136818885) is 2-(methoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(methoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-(methoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one is CCCNc1cc(=O)[nH]c(COC)n1.
What is the InChIKey of 2-(methoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one?
The InChIKey is WPPXCMVFJNECIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-3-4-10-7-5-9(13)12-8(11-7)6-14-2/h5H,3-4,6H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 2-(methoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one?
2-(methoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-(propylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136818885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).