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

C7H11N3O2 — CID 15578077

IUPAC4-hydroxy-2-(propan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)Nc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-4(2)8-7-9-5(11)3-6(12)10-7/h3-4H,1-2H3,(H3,8,9,10,11,12)
InChIKeyBKDYEBFKDKOMQE-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.30
Rot. Bonds2

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

4-hydroxy-2-(propan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 15578077) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-hydroxy-2-(propan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(propan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID15578077
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-hydroxy-2-(propan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)Nc1nc(O)cc(=O)[nH]1
InChIInChI=1S/C7H11N3O2/c1-4(2)8-7-9-5(11)3-6(12)10-7/h3-4H,1-2H3,(H3,8,9,10,11,12)
InChIKeyBKDYEBFKDKOMQE-UHFFFAOYSA-N
XLogP0.30
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-Amino-2-(methylamino)pyrimidin-4-ol
CID 135455590
2-(Dimethylamino)-4,6-pyrimidinediol
CID 320025
2-(ethylamino)-6-fluoro-1H-pyrimidin-4-one
CID 135506826
4-Hydroxy-2-isopropylamino-pyrimidine
CID 1404214
2-(cyclopropylamino)-5-fluoro-4-hydroxy-1H-pyrimidin-6-one
CID 80550493
CID 5773240
CID 5773240
2-(Methylamino)-4,6-pyrimidinediol
CID 816954
2-(ethylamino)-4-hydroxy-1H-pyrimidin-6-one
CID 13051402
2-Diethylamino-4,6-dihydroxy-pyrimidine
CID 21415038
N-(4-hydroxy-6-oxo-1H-pyrimidin-2-yl)acetamide
CID 23042633
2-(Cyclopropylamino)pyrimidine-4,6-diol
CID 64296342
2-(1-aminopropylamino)-4-hydroxy-1H-pyrimidin-6-one
CID 70536318

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(propan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(propan-2-ylamino)-1H-pyrimidin-6-one (CID 15578077) is 4-hydroxy-2-(propan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(propan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(propan-2-ylamino)-1H-pyrimidin-6-one is CC(C)Nc1nc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-(propan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is BKDYEBFKDKOMQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4(2)8-7-9-5(11)3-6(12)10-7/h3-4H,1-2H3,(H3,8,9,10,11,12).
What are the key properties of 4-hydroxy-2-(propan-2-ylamino)-1H-pyrimidin-6-one?
4-hydroxy-2-(propan-2-ylamino)-1H-pyrimidin-6-one has a molecular weight of 169.18 g/mol, XLogP of 0.30, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(propan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 15578077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).