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

C10H16N4O — CID 136852222

IUPAC5-amino-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1(CNc2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C10H16N4O/c1-2-10(3-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5,11H2,1H3,(H2,12,13,14,15)
InChIKeyGEMNBYWLIBXVQE-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.95
Rot. Bonds4

About 5-amino-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136852222) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5-amino-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136852222
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name5-amino-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one
SMILESCCC1(CNc2nc[nH]c(=O)c2N)CC1
InChIInChI=1S/C10H16N4O/c1-2-10(3-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5,11H2,1H3,(H2,12,13,14,15)
InChIKeyGEMNBYWLIBXVQE-UHFFFAOYSA-N
XLogP0.95
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-[butyl(methyl)amino]-1H-pyrimidin-6-one
CID 135568285
5-amino-4-(3-methylbutylamino)-1H-pyrimidin-6-one
CID 135575706
5-amino-4-[(1-ethylcyclopentyl)methylamino]-1H-pyrimidin-6-one
CID 136723579
5-amino-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723590
5-amino-4-[(3-methyl-2-propan-2-ylbutyl)amino]-1H-pyrimidin-6-one
CID 136750473
5-amino-4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-1H-pyrimidin-6-one
CID 136756213
5-amino-4-[(1-amino-3-methylpentan-3-yl)amino]-1H-pyrimidin-6-one
CID 136757150
5-amino-4-(3-methylpentan-3-ylamino)-1H-pyrimidin-6-one
CID 136757519
5-amino-4-(2,2-dimethylbutylamino)-1H-pyrimidin-6-one
CID 136768850
5-amino-4-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-1H-pyrimidin-6-one
CID 136780757
5-amino-4-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrimidin-6-one
CID 136794222
5-amino-4-[(1-methylcyclohexyl)methylamino]-1H-pyrimidin-6-one
CID 136794531

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one (CID 136852222) is 5-amino-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one is CCC1(CNc2nc[nH]c(=O)c2N)CC1.
What is the InChIKey of 5-amino-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is GEMNBYWLIBXVQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-2-10(3-4-10)5-12-8-7(11)9(15)14-6-13-8/h6H,2-5,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 5-amino-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of 0.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(1-ethylcyclopropyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136852222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).