2-amino-1-(3-hydroxy-2-methylpropyl)pyrimidin-4-one

C8H13N3O2 — CID 170585250

IUPAC2-amino-1-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
SMILESCC(CO)Cn1ccc(=O)nc1N
InChIInChI=1S/C8H13N3O2/c1-6(5-12)4-11-3-2-7(13)10-8(11)9/h2-3,6,12H,4-5H2,1H3,(H2,9,10,13)
InChIKeySJVDUGGVCAQPIX-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.55
Rot. Bonds3

About 2-amino-1-(3-hydroxy-2-methylpropyl)pyrimidin-4-one

2-amino-1-(3-hydroxy-2-methylpropyl)pyrimidin-4-one (PubChem CID 170585250) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-amino-1-(3-hydroxy-2-methylpropyl)pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-1-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
PubChem CID170585250
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-amino-1-(3-hydroxy-2-methylpropyl)pyrimidin-4-one
SMILESCC(CO)Cn1ccc(=O)nc1N
InChIInChI=1S/C8H13N3O2/c1-6(5-12)4-11-3-2-7(13)10-8(11)9/h2-3,6,12H,4-5H2,1H3,(H2,9,10,13)
InChIKeySJVDUGGVCAQPIX-UHFFFAOYSA-N
XLogP-0.55
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(3-hydroxy-2-methylpropyl)pyrimidin-4-one?
The IUPAC name of 2-amino-1-(3-hydroxy-2-methylpropyl)pyrimidin-4-one (CID 170585250) is 2-amino-1-(3-hydroxy-2-methylpropyl)pyrimidin-4-one.
What is the SMILES notation for 2-amino-1-(3-hydroxy-2-methylpropyl)pyrimidin-4-one?
The canonical SMILES for 2-amino-1-(3-hydroxy-2-methylpropyl)pyrimidin-4-one is CC(CO)Cn1ccc(=O)nc1N.
What is the InChIKey of 2-amino-1-(3-hydroxy-2-methylpropyl)pyrimidin-4-one?
The InChIKey is SJVDUGGVCAQPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-6(5-12)4-11-3-2-7(13)10-8(11)9/h2-3,6,12H,4-5H2,1H3,(H2,9,10,13).
What are the key properties of 2-amino-1-(3-hydroxy-2-methylpropyl)pyrimidin-4-one?
2-amino-1-(3-hydroxy-2-methylpropyl)pyrimidin-4-one has a molecular weight of 183.21 g/mol, XLogP of -0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(3-hydroxy-2-methylpropyl)pyrimidin-4-one is sourced from PubChem (CID 170585250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).