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

C8H13N3O2 — CID 132587856

IUPAC4-hydroxy-5-(2-methylpropylamino)-1H-pyrimidin-6-one
SMILESCC(C)CNc1c(O)nc[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-5(2)3-9-6-7(12)10-4-11-8(6)13/h4-5,9H,3H2,1-2H3,(H2,10,11,12,13)
InChIKeyJAHBGOKTVDMAIT-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.54
Rot. Bonds3

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

4-hydroxy-5-(2-methylpropylamino)-1H-pyrimidin-6-one (PubChem CID 132587856) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-hydroxy-5-(2-methylpropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-5-(2-methylpropylamino)-1H-pyrimidin-6-one
PubChem CID132587856
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-hydroxy-5-(2-methylpropylamino)-1H-pyrimidin-6-one
SMILESCC(C)CNc1c(O)nc[nH]c1=O
InChIInChI=1S/C8H13N3O2/c1-5(2)3-9-6-7(12)10-4-11-8(6)13/h4-5,9H,3H2,1-2H3,(H2,10,11,12,13)
InChIKeyJAHBGOKTVDMAIT-UHFFFAOYSA-N
XLogP0.54
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-(2-methylpropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-5-(2-methylpropylamino)-1H-pyrimidin-6-one (CID 132587856) is 4-hydroxy-5-(2-methylpropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-5-(2-methylpropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-5-(2-methylpropylamino)-1H-pyrimidin-6-one is CC(C)CNc1c(O)nc[nH]c1=O.
What is the InChIKey of 4-hydroxy-5-(2-methylpropylamino)-1H-pyrimidin-6-one?
The InChIKey is JAHBGOKTVDMAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(2)3-9-6-7(12)10-4-11-8(6)13/h4-5,9H,3H2,1-2H3,(H2,10,11,12,13).
What are the key properties of 4-hydroxy-5-(2-methylpropylamino)-1H-pyrimidin-6-one?
4-hydroxy-5-(2-methylpropylamino)-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of 0.54, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-(2-methylpropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 132587856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).