4-(2-methylpropyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one

C10H13N3O2 — CID 145240077

IUPAC4-(2-methylpropyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
SMILESCC(C)CC1OC(=O)Nc2ncncc21
InChIInChI=1S/C10H13N3O2/c1-6(2)3-8-7-4-11-5-12-9(7)13-10(14)15-8/h4-6,8H,3H2,1-2H3,(H,11,12,13,14)
InChIKeySNCFQEIYGHMJOL-UHFFFAOYSA-N
MW207.23 g/mol
LogP2.13
Rot. Bonds2

About 4-(2-methylpropyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one

4-(2-methylpropyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one (PubChem CID 145240077) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 4-(2-methylpropyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one.

Molecular Properties

Compound Name4-(2-methylpropyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
PubChem CID145240077
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name4-(2-methylpropyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one
SMILESCC(C)CC1OC(=O)Nc2ncncc21
InChIInChI=1S/C10H13N3O2/c1-6(2)3-8-7-4-11-5-12-9(7)13-10(14)15-8/h4-6,8H,3H2,1-2H3,(H,11,12,13,14)
InChIKeySNCFQEIYGHMJOL-UHFFFAOYSA-N
XLogP2.13
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one?
The IUPAC name of 4-(2-methylpropyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one (CID 145240077) is 4-(2-methylpropyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one.
What is the SMILES notation for 4-(2-methylpropyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one?
The canonical SMILES for 4-(2-methylpropyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one is CC(C)CC1OC(=O)Nc2ncncc21.
What is the InChIKey of 4-(2-methylpropyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one?
The InChIKey is SNCFQEIYGHMJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-6(2)3-8-7-4-11-5-12-9(7)13-10(14)15-8/h4-6,8H,3H2,1-2H3,(H,11,12,13,14).
What are the key properties of 4-(2-methylpropyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one?
4-(2-methylpropyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one has a molecular weight of 207.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropyl)-1,4-dihydropyrimido[4,5-d][1,3]oxazin-2-one is sourced from PubChem (CID 145240077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).