1-(cyclopropylmethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one

C11H13N3O2S — CID 168786808

IUPAC1-(cyclopropylmethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
SMILESCSc1ncc2c(n1)N(CC1CC1)C(=O)OC2
InChIInChI=1S/C11H13N3O2S/c1-17-10-12-4-8-6-16-11(15)14(9(8)13-10)5-7-2-3-7/h4,7H,2-3,5-6H2,1H3
InChIKeyCGVXIQCAJKDDMO-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.07
Rot. Bonds3

About 1-(cyclopropylmethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one

1-(cyclopropylmethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one (PubChem CID 168786808) has the molecular formula C11H13N3O2S and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
PubChem CID168786808
Molecular FormulaC11H13N3O2S
Molecular Weight251.31 g/mol
Exact Mass251.07
IUPAC Name1-(cyclopropylmethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
SMILESCSc1ncc2c(n1)N(CC1CC1)C(=O)OC2
InChIInChI=1S/C11H13N3O2S/c1-17-10-12-4-8-6-16-11(15)14(9(8)13-10)5-7-2-3-7/h4,7H,2-3,5-6H2,1H3
InChIKeyCGVXIQCAJKDDMO-UHFFFAOYSA-N
XLogP2.07
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-(cyclopropylmethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-fluoroethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 126540326
1-(2,2-difluoroethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 126540075
1-(2-fluoroethyl)-7-methylsulfonyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 126540547
3-cyclohexyl-1-methyl-7-methylsulfanyl-4H-pyrimido[4,5-d]pyrimidin-2-one
CID 22125161
7-[1-[4-(1-chloro-2-cyclopropylethyl)phenyl]ethylamino]-1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 146442614
1-methyl-3-(2-methylphenyl)-8-methylsulfanyl-5H-pyrimido[4,5-e][1,3,4]oxadiazepine
CID 142897456
2-methylsulfanyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidin-6-amine
CID 55280138
3-(cyclopropylmethyl)-5-[3-[(6S)-13-methylsulfanyl-9-oxo-2,8,12,14-tetrazatricyclo[8.4.0.02,6]tetradeca-1(14),10,12-trien-8-yl]phenyl]-1,3,4-oxadiazol-2-one
CID 67350088
7-[1-[4-[2-cyclopropyl-1-(4-prop-2-enoylpiperazin-1-yl)ethyl]phenyl]ethylamino]-1-ethyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one
CID 135125143
4-[4-[(2-methyl-4-oxoquinazolin-3-yl)methyl]piperidin-1-yl]-2-methylsulfanylpyrimidine-5-carbonitrile
CID 154883213
ethyl 4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidine-5-carboxylate
CID 5072145
[4-(4-methylpiperazin-1-yl)-2-methylsulfanylpyrimidin-5-yl]methanol
CID 28905055

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one?
The IUPAC name of 1-(cyclopropylmethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one (CID 168786808) is 1-(cyclopropylmethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one.
What is the SMILES notation for 1-(cyclopropylmethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one?
The canonical SMILES for 1-(cyclopropylmethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one is CSc1ncc2c(n1)N(CC1CC1)C(=O)OC2.
What is the InChIKey of 1-(cyclopropylmethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one?
The InChIKey is CGVXIQCAJKDDMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2S/c1-17-10-12-4-8-6-16-11(15)14(9(8)13-10)5-7-2-3-7/h4,7H,2-3,5-6H2,1H3.
What are the key properties of 1-(cyclopropylmethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one?
1-(cyclopropylmethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one has a molecular weight of 251.31 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-7-methylsulfanyl-4H-pyrimido[4,5-d][1,3]oxazin-2-one is sourced from PubChem (CID 168786808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).