4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one

C10H15N3O — CID 136852227

IUPAC4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1(CNc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C10H15N3O/c1-2-10(3-4-10)6-11-8-5-9(14)13-7-12-8/h5,7H,2-4,6H2,1H3,(H2,11,12,13,14)
InChIKeyDRDUFEVGEAZVGB-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.37
Rot. Bonds4

About 4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one

4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136852227) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136852227
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1(CNc2cc(=O)[nH]cn2)CC1
InChIInChI=1S/C10H15N3O/c1-2-10(3-4-10)6-11-8-5-9(14)13-7-12-8/h5,7H,2-4,6H2,1H3,(H2,11,12,13,14)
InChIKeyDRDUFEVGEAZVGB-UHFFFAOYSA-N
XLogP1.37
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
4-(3,3-dimethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 136462243
4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 136650100
4-(pentylamino)-1H-pyrimidin-6-one
CID 136955957
4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 136955962
4-(4-methylpentylamino)-1H-pyrimidin-6-one
CID 136956261
6-[(Cyclopropylmethyl)amino]-3-methyl-3,4-dihydropyrimidin-4-one
CID 134160406
4-(2-ethylhexylamino)-1H-pyrimidin-6-one
CID 136701823
4-[2-(2-aminoethyl)pentylamino]-1H-pyrimidin-6-one
CID 136704110
4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723585
4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750479
4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756219

Frequently Asked Questions

What is the IUPAC name of 4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one (CID 136852227) is 4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one is CCC1(CNc2cc(=O)[nH]cn2)CC1.
What is the InChIKey of 4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is DRDUFEVGEAZVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-10(3-4-10)6-11-8-5-9(14)13-7-12-8/h5,7H,2-4,6H2,1H3,(H2,11,12,13,14).
What are the key properties of 4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 193.25 g/mol, XLogP of 1.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136852227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).