4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one

C9H15N3O3 — CID 136957039

IUPAC4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC(C)(CO)CO)cc(=O)[nH]1
InChIInChI=1S/C9H15N3O3/c1-6-10-7(3-8(15)11-6)12-9(2,4-13)5-14/h3,13-14H,4-5H2,1-2H3,(H2,10,11,12,15)
InChIKeyUGADRPNMJKPVGQ-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.77
Rot. Bonds4

About 4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one

4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one (PubChem CID 136957039) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
PubChem CID136957039
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC(C)(CO)CO)cc(=O)[nH]1
InChIInChI=1S/C9H15N3O3/c1-6-10-7(3-8(15)11-6)12-9(2,4-13)5-14/h3,13-14H,4-5H2,1-2H3,(H2,10,11,12,15)
InChIKeyUGADRPNMJKPVGQ-UHFFFAOYSA-N
XLogP-0.77
TPSA98.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one (CID 136957039) is 4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one is Cc1nc(NC(C)(CO)CO)cc(=O)[nH]1.
What is the InChIKey of 4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is UGADRPNMJKPVGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-6-10-7(3-8(15)11-6)12-9(2,4-13)5-14/h3,13-14H,4-5H2,1-2H3,(H2,10,11,12,15).
What are the key properties of 4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one?
4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 213.24 g/mol, XLogP of -0.77, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136957039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).