4-(1-hydroxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one

C8H13N3O2 — CID 136956082

IUPAC4-(1-hydroxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC(C)CO)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-5(4-12)9-7-3-8(13)11-6(2)10-7/h3,5,12H,4H2,1-2H3,(H2,9,10,11,13)
InChIKeyVFLBSZBACAYXPU-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.13
Rot. Bonds3

About 4-(1-hydroxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one

4-(1-hydroxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one (PubChem CID 136956082) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 4-(1-hydroxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(1-hydroxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
PubChem CID136956082
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name4-(1-hydroxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC(C)CO)cc(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-5(4-12)9-7-3-8(13)11-6(2)10-7/h3,5,12H,4H2,1-2H3,(H2,9,10,11,13)
InChIKeyVFLBSZBACAYXPU-UHFFFAOYSA-N
XLogP-0.13
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 ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-hydroxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(1-hydroxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one (CID 136956082) is 4-(1-hydroxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(1-hydroxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(1-hydroxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one is Cc1nc(NC(C)CO)cc(=O)[nH]1.
What is the InChIKey of 4-(1-hydroxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is VFLBSZBACAYXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5(4-12)9-7-3-8(13)11-6(2)10-7/h3,5,12H,4H2,1-2H3,(H2,9,10,11,13).
What are the key properties of 4-(1-hydroxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one?
4-(1-hydroxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-hydroxypropan-2-ylamino)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136956082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).