4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one

C8H13N3O2 — CID 136956750

IUPAC4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H13N3O2/c1-8(2,13)4-9-6-3-7(12)11-5-10-6/h3,5,13H,4H2,1-2H3,(H2,9,10,11,12)
InChIKeyLJVUAHZHERZWQO-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.05
Rot. Bonds3

About 4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one

4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (PubChem CID 136956750) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
PubChem CID136956750
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
SMILESCC(C)(O)CNc1cc(=O)[nH]cn1
InChIInChI=1S/C8H13N3O2/c1-8(2,13)4-9-6-3-7(12)11-5-10-6/h3,5,13H,4H2,1-2H3,(H2,9,10,11,12)
InChIKeyLJVUAHZHERZWQO-UHFFFAOYSA-N
XLogP-0.05
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 ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one (CID 136956750) is 4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is CC(C)(O)CNc1cc(=O)[nH]cn1.
What is the InChIKey of 4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
The InChIKey is LJVUAHZHERZWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-8(2,13)4-9-6-3-7(12)11-5-10-6/h3,5,13H,4H2,1-2H3,(H2,9,10,11,12).
What are the key properties of 4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one?
4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136956750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).