4-amino-6-(3-amino-2-methylpropyl)-1H-pyrimidin-2-one

C8H14N4O — CID 83857359

IUPAC4-amino-6-(3-amino-2-methylpropyl)-1H-pyrimidin-2-one
SMILESCC(CN)Cc1cc(N)nc(=O)[nH]1
InChIInChI=1S/C8H14N4O/c1-5(4-9)2-6-3-7(10)12-8(13)11-6/h3,5H,2,4,9H2,1H3,(H3,10,11,12,13)
InChIKeyCVHCRVDHCOWWOW-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.51
Rot. Bonds3

About 4-amino-6-(3-amino-2-methylpropyl)-1H-pyrimidin-2-one

4-amino-6-(3-amino-2-methylpropyl)-1H-pyrimidin-2-one (PubChem CID 83857359) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 4-amino-6-(3-amino-2-methylpropyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-6-(3-amino-2-methylpropyl)-1H-pyrimidin-2-one
PubChem CID83857359
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name4-amino-6-(3-amino-2-methylpropyl)-1H-pyrimidin-2-one
SMILESCC(CN)Cc1cc(N)nc(=O)[nH]1
InChIInChI=1S/C8H14N4O/c1-5(4-9)2-6-3-7(10)12-8(13)11-6/h3,5H,2,4,9H2,1H3,(H3,10,11,12,13)
InChIKeyCVHCRVDHCOWWOW-UHFFFAOYSA-N
XLogP-0.51
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-6-(2-aminoethyl)-1H-pyrimidin-2-one
CID 83851764
4-amino-6-(hydroxymethyl)-1H-pyrimidin-2-one
CID 45080379
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)-2,2-dimethylpropanoic acid
CID 83857357
3-(4-amino-2-oxo-1H-pyrimidin-6-yl)butanoic acid
CID 83857354
4-amino-6-bromo-1H-pyrimidin-2-one
CID 101367928
6-(2-aminopropyl)-4-cyclopentyl-1H-pyrimidin-2-one
CID 83849691
N-(3-aminopropyl)-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 90647366
6-ethyl-4-propan-2-yl-1H-pyrimidin-2-one
CID 130056096
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide;formic acid
CID 154909657
2-[(2R)-3-amino-2-methylpropyl]-6-pyridazin-4-yl-3H-thieno[3,2-d]pyrimidin-4-one
CID 137315857
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-2-methylpropan-1-amine
CID 81073665
4-amino-6-[4-(aminomethyl)cyclohexyl]-1H-pyrimidin-2-one
CID 83857323

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(3-amino-2-methylpropyl)-1H-pyrimidin-2-one?
The IUPAC name of 4-amino-6-(3-amino-2-methylpropyl)-1H-pyrimidin-2-one (CID 83857359) is 4-amino-6-(3-amino-2-methylpropyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 4-amino-6-(3-amino-2-methylpropyl)-1H-pyrimidin-2-one?
The canonical SMILES for 4-amino-6-(3-amino-2-methylpropyl)-1H-pyrimidin-2-one is CC(CN)Cc1cc(N)nc(=O)[nH]1.
What is the InChIKey of 4-amino-6-(3-amino-2-methylpropyl)-1H-pyrimidin-2-one?
The InChIKey is CVHCRVDHCOWWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5(4-9)2-6-3-7(10)12-8(13)11-6/h3,5H,2,4,9H2,1H3,(H3,10,11,12,13).
What are the key properties of 4-amino-6-(3-amino-2-methylpropyl)-1H-pyrimidin-2-one?
4-amino-6-(3-amino-2-methylpropyl)-1H-pyrimidin-2-one has a molecular weight of 182.23 g/mol, XLogP of -0.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(3-amino-2-methylpropyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 83857359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).