4-(propan-2-ylamino)-1H-pyrimidin-6-one

C7H11N3O — CID 136828750

IUPAC4-(propan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C7H11N3O/c1-5(2)10-6-3-7(11)9-4-8-6/h3-5H,1-2H3,(H2,8,9,10,11)
InChIKeyRVJKUCTUDOPUBQ-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.59
Rot. Bonds2

About 4-(propan-2-ylamino)-1H-pyrimidin-6-one

4-(propan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 136828750) has the molecular formula C7H11N3O and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-(propan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(propan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID136828750
Molecular FormulaC7H11N3O
Molecular Weight153.18 g/mol
Exact Mass153.09
IUPAC Name4-(propan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)Nc1cc(=O)[nH]cn1
InChIInChI=1S/C7H11N3O/c1-5(2)10-6-3-7(11)9-4-8-6/h3-5H,1-2H3,(H2,8,9,10,11)
InChIKeyRVJKUCTUDOPUBQ-UHFFFAOYSA-N
XLogP0.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Amino-4-cyclopropylamino-6-hydroxypyrimidine
CID 135509791
6-Amino-1H-pyrimidin-4-one
CID 135431272
6-Amino-2-(methylamino)pyrimidin-4-ol
CID 135455590
2-Amino-6-(methylamino)pyrimidin-4-ol
CID 135577492
6-(Methylamino)pyrimidin-4-ol
CID 135481447
2-(ethylamino)-6-fluoro-1H-pyrimidin-4-one
CID 135506826
3-Methyl-6-(methylamino)-4(3H)-pyrimidinone
CID 55288147
6-(Dimethylamino)-4(3H)-pyrimidinone
CID 135755308
4-Hydroxy-2-isopropylamino-pyrimidine
CID 1404214
4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136738480
2-Amino-6-(propylamino)pyrimidin-4(1h)-one
CID 135408601
4-(Ethylamino)-6-hydroxypyrimidine
CID 135577485

Frequently Asked Questions

What is the IUPAC name of 4-(propan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(propan-2-ylamino)-1H-pyrimidin-6-one (CID 136828750) is 4-(propan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(propan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(propan-2-ylamino)-1H-pyrimidin-6-one is CC(C)Nc1cc(=O)[nH]cn1.
What is the InChIKey of 4-(propan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is RVJKUCTUDOPUBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5(2)10-6-3-7(11)9-4-8-6/h3-5H,1-2H3,(H2,8,9,10,11).
What are the key properties of 4-(propan-2-ylamino)-1H-pyrimidin-6-one?
4-(propan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 153.18 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136828750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).