2-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one

C8H14N4O — CID 135410180

IUPAC2-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
SMILESCC(C)CNc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C8H14N4O/c1-5(2)4-10-6-3-7(13)12-8(9)11-6/h3,5H,4H2,1-2H3,(H4,9,10,11,12,13)
InChIKeyADUHAZFLHLOTSR-UHFFFAOYSA-N
MW182.23 g/mol
LogP0.42
Rot. Bonds3

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

2-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one (PubChem CID 135410180) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
PubChem CID135410180
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
SMILESCC(C)CNc1cc(=O)[nH]c(N)n1
InChIInChI=1S/C8H14N4O/c1-5(2)4-10-6-3-7(13)12-8(9)11-6/h3,5H,4H2,1-2H3,(H4,9,10,11,12,13)
InChIKeyADUHAZFLHLOTSR-UHFFFAOYSA-N
XLogP0.42
TPSA83.80 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 ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-6-(dimethylamino)pyrimidin-4-ol
CID 135442218
2-Amino-4-cyclopropylamino-6-hydroxypyrimidine
CID 135509791
6-Amino-2-(methylamino)pyrimidin-4-ol
CID 135455590
2-Amino-6-(methylamino)pyrimidin-4-ol
CID 135577492
4-Amino-2-dimethylamino-6-hydroxypyrimidine
CID 135431314
2-(ethylamino)-6-fluoro-1H-pyrimidin-4-one
CID 135506826
2-(butylamino)-1H-pyrimidin-6-one
CID 2069400
4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
4-fluoro-2-(propylamino)-1H-pyrimidin-6-one
CID 166556696
2-Amino-6-(propylamino)pyrimidin-4(1h)-one
CID 135408601
2-Amino-6-(butylamino)pyrimidin-4(3H)-one
CID 135408602
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one (CID 135410180) is 2-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one is CC(C)CNc1cc(=O)[nH]c(N)n1.
What is the InChIKey of 2-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one?
The InChIKey is ADUHAZFLHLOTSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5(2)4-10-6-3-7(13)12-8(9)11-6/h3,5H,4H2,1-2H3,(H4,9,10,11,12,13).
What are the key properties of 2-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one?
2-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one has a molecular weight of 182.23 g/mol, XLogP of 0.42, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135410180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).