2-cyclopropyl-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one

C12H17N3O2 — CID 137008986

IUPAC2-cyclopropyl-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC1CN(c2cc(=O)[nH]c(C3CC3)n2)CCO1
InChIInChI=1S/C12H17N3O2/c1-8-7-15(4-5-17-8)10-6-11(16)14-12(13-10)9-2-3-9/h6,8-9H,2-5,7H2,1H3,(H,13,14,16)
InChIKeyWTTCRCIPHXYPPQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.87
Rot. Bonds2

About 2-cyclopropyl-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one

2-cyclopropyl-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one (PubChem CID 137008986) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
PubChem CID137008986
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-cyclopropyl-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC1CN(c2cc(=O)[nH]c(C3CC3)n2)CCO1
InChIInChI=1S/C12H17N3O2/c1-8-7-15(4-5-17-8)10-6-11(16)14-12(13-10)9-2-3-9/h6,8-9H,2-5,7H2,1H3,(H,13,14,16)
InChIKeyWTTCRCIPHXYPPQ-UHFFFAOYSA-N
XLogP0.87
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136961769
2-cyclopropyl-4-(2,6-dimethylthiomorpholin-4-yl)-1H-pyrimidin-6-one
CID 137009710
2-methyl-4-(2-methyl-1,4-oxazepan-4-yl)-1H-pyrimidin-6-one
CID 136957833
2-cyclopropyl-4-(3-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009930
4-(6-chloro-2-cyclopropylpyrimidin-4-yl)-2-methylmorpholine
CID 80949359
2-cyclopropyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 137009758
2-cyclopropyl-4-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 137258814
2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821998
2-cyclopropyl-4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136989892
2-cyclopropyl-4-(3-oxopiperazin-1-yl)-1H-pyrimidin-6-one
CID 137008995
2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one
CID 137009763
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1,4-diazepan-5-one
CID 137009553

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one (CID 137008986) is 2-cyclopropyl-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one is CC1CN(c2cc(=O)[nH]c(C3CC3)n2)CCO1.
What is the InChIKey of 2-cyclopropyl-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is WTTCRCIPHXYPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-7-15(4-5-17-8)10-6-11(16)14-12(13-10)9-2-3-9/h6,8-9H,2-5,7H2,1H3,(H,13,14,16).
What are the key properties of 2-cyclopropyl-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 235.29 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2-methylmorpholin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137008986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).