4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one

C11H18N4O — CID 137008661

IUPAC4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2(CN)CC2)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-2-8-14-9(5-10(16)15-8)13-7-11(6-12)3-4-11/h5H,2-4,6-7,12H2,1H3,(H2,13,14,15,16)
InChIKeyYPMVJBYAWFYIDF-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.48
Rot. Bonds5

About 4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one

4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one (PubChem CID 137008661) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one
PubChem CID137008661
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one
SMILESCCc1nc(NCC2(CN)CC2)cc(=O)[nH]1
InChIInChI=1S/C11H18N4O/c1-2-8-14-9(5-10(16)15-8)13-7-11(6-12)3-4-11/h5H,2-4,6-7,12H2,1H3,(H2,13,14,15,16)
InChIKeyYPMVJBYAWFYIDF-UHFFFAOYSA-N
XLogP0.48
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-4-[(1-hydroxy-4-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136976085
2-ethyl-4-[(1-methylcyclopropyl)amino]-1H-pyrimidin-6-one
CID 136977181
4-[[(E)-but-2-enyl]amino]-2-ethyl-1H-pyrimidin-6-one
CID 137273825
4-(cyclopropylmethylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136973540
4-[[4-(aminomethyl)phenyl]methylamino]-2-ethyl-1H-pyrimidin-6-one
CID 136972721
4-(2,2-dimethylbutylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136768848
N-[[1-(aminomethyl)cyclopropyl]methyl]-6-ethyl-2-methylpyrimidin-4-amine
CID 115457082
2-ethyl-4-(2-ethylsulfonylethylamino)-1H-pyrimidin-6-one
CID 136750490
4-(1-aminopentan-2-ylamino)-2-ethyl-1H-pyrimidin-6-one
CID 136978373
4-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]butanamide
CID 136974133
2-ethyl-4-[(4-ethylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136974286
2-ethyl-4-(4-hydroxybutylamino)-1H-pyrimidin-6-one
CID 136772464

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one (CID 137008661) is 4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one is CCc1nc(NCC2(CN)CC2)cc(=O)[nH]1.
What is the InChIKey of 4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one?
The InChIKey is YPMVJBYAWFYIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-2-8-14-9(5-10(16)15-8)13-7-11(6-12)3-4-11/h5H,2-4,6-7,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one?
4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one has a molecular weight of 222.29 g/mol, XLogP of 0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(aminomethyl)cyclopropyl]methylamino]-2-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137008661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).