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

C8H13N3O2 — CID 63553551

IUPAC4-hydroxy-2-(methylamino)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCNc1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-4(2)5-6(12)10-8(9-3)11-7(5)13/h4H,1-3H3,(H3,9,10,11,12,13)
InChIKeyGLHIKTDMXWQREX-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.64
Rot. Bonds2

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

4-hydroxy-2-(methylamino)-5-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 63553551) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-hydroxy-2-(methylamino)-5-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-(methylamino)-5-propan-2-yl-1H-pyrimidin-6-one
PubChem CID63553551
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-hydroxy-2-(methylamino)-5-propan-2-yl-1H-pyrimidin-6-one
SMILESCNc1nc(O)c(C(C)C)c(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-4(2)5-6(12)10-8(9-3)11-7(5)13/h4H,1-3H3,(H3,9,10,11,12,13)
InChIKeyGLHIKTDMXWQREX-UHFFFAOYSA-N
XLogP0.64
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(methylamino)-5-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-(methylamino)-5-propan-2-yl-1H-pyrimidin-6-one (CID 63553551) is 4-hydroxy-2-(methylamino)-5-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-(methylamino)-5-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-(methylamino)-5-propan-2-yl-1H-pyrimidin-6-one is CNc1nc(O)c(C(C)C)c(=O)[nH]1.
What is the InChIKey of 4-hydroxy-2-(methylamino)-5-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is GLHIKTDMXWQREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-4(2)5-6(12)10-8(9-3)11-7(5)13/h4H,1-3H3,(H3,9,10,11,12,13).
What are the key properties of 4-hydroxy-2-(methylamino)-5-propan-2-yl-1H-pyrimidin-6-one?
4-hydroxy-2-(methylamino)-5-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of 0.64, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-(methylamino)-5-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 63553551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).