2-[[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]-4-ethyl-1H-pyrimidin-6-one

C15H24N4O — CID 137222262

IUPAC2-[[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(CN(C[C@H]2CCCN2)C2CC2)n1
InChIInChI=1S/C15H24N4O/c1-2-11-8-15(20)18-14(17-11)10-19(13-5-6-13)9-12-4-3-7-16-12/h8,12-13,16H,2-7,9-10H2,1H3,(H,17,18,20)/t12-/m1/s1
InChIKeyXBAUEWSRGXOOHJ-GFCCVEGCSA-N
MW276.38 g/mol
LogP1.05
Rot. Bonds6

About 2-[[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]-4-ethyl-1H-pyrimidin-6-one

2-[[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]-4-ethyl-1H-pyrimidin-6-one (PubChem CID 137222262) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-[[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]-4-ethyl-1H-pyrimidin-6-one
PubChem CID137222262
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name2-[[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(CN(C[C@H]2CCCN2)C2CC2)n1
InChIInChI=1S/C15H24N4O/c1-2-11-8-15(20)18-14(17-11)10-19(13-5-6-13)9-12-4-3-7-16-12/h8,12-13,16H,2-7,9-10H2,1H3,(H,17,18,20)/t12-/m1/s1
InChIKeyXBAUEWSRGXOOHJ-GFCCVEGCSA-N
XLogP1.05
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]-4-ethyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

N-[(2-methyl-1,3-thiazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973966
N-[(5-ethylthiophen-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106598928
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 128964578
N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599047
N-[(4-chloro-2-pyridinyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599857
N-cyclopropyl-3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 106599278
2-ethyl-4-[2-[(2S)-pyrrolidin-2-yl]ethylamino]-1H-pyrimidin-6-one
CID 136879297
N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104979274
N-[(5-fluoro-2-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599700
N-[(5-methyl-1,3-oxazol-4-yl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599991
N-[(2,5-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973976
N-[(4-methylsulfanylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 103519894

Frequently Asked Questions

What is the IUPAC name of 2-[[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]-4-ethyl-1H-pyrimidin-6-one (CID 137222262) is 2-[[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(CN(C[C@H]2CCCN2)C2CC2)n1.
What is the InChIKey of 2-[[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is XBAUEWSRGXOOHJ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-11-8-15(20)18-14(17-11)10-19(13-5-6-13)9-12-4-3-7-16-12/h8,12-13,16H,2-7,9-10H2,1H3,(H,17,18,20)/t12-/m1/s1.
What are the key properties of 2-[[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]-4-ethyl-1H-pyrimidin-6-one?
2-[[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 276.38 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[cyclopropyl-[[(2R)-pyrrolidin-2-yl]methyl]amino]methyl]-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137222262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).