2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one

C16H19N3O2 — CID 136974262

IUPAC2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one
SMILESCOCc1ccccc1CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H19N3O2/c1-21-10-13-5-3-2-4-12(13)9-17-14-8-15(20)19-16(18-14)11-6-7-11/h2-5,8,11H,6-7,9-10H2,1H3,(H2,17,18,19,20)
InChIKeyXHQLMQHCGJHLBG-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.41
Rot. Bonds6

About 2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one

2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one (PubChem CID 136974262) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one
PubChem CID136974262
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one
SMILESCOCc1ccccc1CNc1cc(=O)[nH]c(C2CC2)n1
InChIInChI=1S/C16H19N3O2/c1-21-10-13-5-3-2-4-12(13)9-17-14-8-15(20)19-16(18-14)11-6-7-11/h2-5,8,11H,6-7,9-10H2,1H3,(H2,17,18,19,20)
InChIKeyXHQLMQHCGJHLBG-UHFFFAOYSA-N
XLogP2.41
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136973791
4-[(2-chloro-6-methoxyphenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136782373
2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723592
2-cyclopropyl-4-[(2-methylpyrazol-3-yl)methylamino]-1H-pyrimidin-6-one
CID 137016422
2-cyclopropyl-4-(2,3-dimethoxypropylamino)-1H-pyrimidin-6-one
CID 136852193
2-cyclopropyl-4-[(4-propan-2-ylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136975163
4-[(3-bromophenyl)methylamino]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136974738
2-cyclopropyl-4-[(5-methylfuran-2-yl)methylamino]-1H-pyrimidin-6-one
CID 137016366
4-(cyclobutylmethylamino)-2-cyclopropyl-1H-pyrimidin-6-one
CID 136973893
2-cyclopropyl-4-[(6-methyl-3-pyridinyl)methylamino]-1H-pyrimidin-6-one
CID 136975561
4-[[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]methyl]-3-fluorobenzonitrile
CID 136973071
2-cyclopropyl-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768845

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one (CID 136974262) is 2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one is COCc1ccccc1CNc1cc(=O)[nH]c(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one?
The InChIKey is XHQLMQHCGJHLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-10-13-5-3-2-4-12(13)9-17-14-8-15(20)19-16(18-14)11-6-7-11/h2-5,8,11H,6-7,9-10H2,1H3,(H2,17,18,19,20).
What are the key properties of 2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one?
2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one has a molecular weight of 285.35 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-[[2-(methoxymethyl)phenyl]methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136974262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).