1-(3-amino-2-methylpropyl)pyrimidin-2-one

C8H13N3O — CID 43367705

IUPAC1-(3-amino-2-methylpropyl)pyrimidin-2-one
SMILESCC(CN)Cn1cccnc1=O
InChIInChI=1S/C8H13N3O/c1-7(5-9)6-11-4-2-3-10-8(11)12/h2-4,7H,5-6,9H2,1H3
InChIKeyANCSLZGCEPYLKA-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.16
Rot. Bonds3

About 1-(3-amino-2-methylpropyl)pyrimidin-2-one

1-(3-amino-2-methylpropyl)pyrimidin-2-one (PubChem CID 43367705) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 1-(3-amino-2-methylpropyl)pyrimidin-2-one.

Molecular Properties

Compound Name1-(3-amino-2-methylpropyl)pyrimidin-2-one
PubChem CID43367705
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name1-(3-amino-2-methylpropyl)pyrimidin-2-one
SMILESCC(CN)Cn1cccnc1=O
InChIInChI=1S/C8H13N3O/c1-7(5-9)6-11-4-2-3-10-8(11)12/h2-4,7H,5-6,9H2,1H3
InChIKeyANCSLZGCEPYLKA-UHFFFAOYSA-N
XLogP-0.16
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 1,2-dihydro-1-isobutyl-2-oxo-
CID 58125217
Pyrimidine, 1-butyl-1,2-dihydro-2-oxo-
CID 116618400
1-(3-Aminopropyl)-1,2-dihydropyrimidin-2-one
CID 16786789
1-(3-Aminopropyl)-1,2-dihydropyrimidin-2-one dihydrochloride
CID 91647547
1-(2-Aminoethyl)pyrimidin-2(1H)-one
CID 16787020
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]pyrimidin-2-one
CID 103366509
1-(3-Methylbutan-2-yl)pyrimidin-2-one
CID 58125111
1-[(2S)-3-methylbutan-2-yl]pyrimidin-2-one
CID 89419763
1-[(1S)-1-aminoethyl]pyrimidin-2-one
CID 134448059
2-methyl-2H-pyrimidine-1-carboxamide
CID 141553929
N-ethyl-2H-pyrimidine-1-carboxamide
CID 154048654
1-(2,2-Dimethylpropyl)pyrimidin-2-one
CID 169320230

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2-methylpropyl)pyrimidin-2-one?
The IUPAC name of 1-(3-amino-2-methylpropyl)pyrimidin-2-one (CID 43367705) is 1-(3-amino-2-methylpropyl)pyrimidin-2-one.
What is the SMILES notation for 1-(3-amino-2-methylpropyl)pyrimidin-2-one?
The canonical SMILES for 1-(3-amino-2-methylpropyl)pyrimidin-2-one is CC(CN)Cn1cccnc1=O.
What is the InChIKey of 1-(3-amino-2-methylpropyl)pyrimidin-2-one?
The InChIKey is ANCSLZGCEPYLKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-7(5-9)6-11-4-2-3-10-8(11)12/h2-4,7H,5-6,9H2,1H3.
What are the key properties of 1-(3-amino-2-methylpropyl)pyrimidin-2-one?
1-(3-amino-2-methylpropyl)pyrimidin-2-one has a molecular weight of 167.21 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2-methylpropyl)pyrimidin-2-one is sourced from PubChem (CID 43367705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).