4-hydroxy-5-(propan-2-ylamino)-1H-pyrimidin-6-one

C7H11N3O2 — CID 132587835

IUPAC4-hydroxy-5-(propan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)Nc1c(O)nc[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-4(2)10-5-6(11)8-3-9-7(5)12/h3-4,10H,1-2H3,(H2,8,9,11,12)
InChIKeyBWNRFLAUIQBTJO-UHFFFAOYSA-N
MW169.18 g/mol
LogP0.30
Rot. Bonds2

About 4-hydroxy-5-(propan-2-ylamino)-1H-pyrimidin-6-one

4-hydroxy-5-(propan-2-ylamino)-1H-pyrimidin-6-one (PubChem CID 132587835) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 4-hydroxy-5-(propan-2-ylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(propan-2-ylamino)-1H-pyrimidin-6-one
PubChem CID132587835
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name4-hydroxy-5-(propan-2-ylamino)-1H-pyrimidin-6-one
SMILESCC(C)Nc1c(O)nc[nH]c1=O
InChIInChI=1S/C7H11N3O2/c1-4(2)10-5-6(11)8-3-9-7(5)12/h3-4,10H,1-2H3,(H2,8,9,11,12)
InChIKeyBWNRFLAUIQBTJO-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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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(propan-2-ylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-(propan-2-ylamino)-1H-pyrimidin-6-one (CID 132587835) is 4-hydroxy-5-(propan-2-ylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-(propan-2-ylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-(propan-2-ylamino)-1H-pyrimidin-6-one is CC(C)Nc1c(O)nc[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-(propan-2-ylamino)-1H-pyrimidin-6-one?
The InChIKey is BWNRFLAUIQBTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-4(2)10-5-6(11)8-3-9-7(5)12/h3-4,10H,1-2H3,(H2,8,9,11,12).
What are the key properties of 4-hydroxy-5-(propan-2-ylamino)-1H-pyrimidin-6-one?
4-hydroxy-5-(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-5-(propan-2-ylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 132587835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).