7-cyclopropylsulfonyl-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

C12H17N3O3S — CID 127958529

IUPAC7-cyclopropylsulfonyl-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCn1cnc2c(c1=O)CCN(S(=O)(=O)C1CC1)C2
InChIInChI=1S/C12H17N3O3S/c1-2-14-8-13-11-7-15(6-5-10(11)12(14)16)19(17,18)9-3-4-9/h8-9H,2-7H2,1H3
InChIKeyMDCSBOKQEWBTRV-UHFFFAOYSA-N
MW283.35 g/mol
LogP0.11
Rot. Bonds3

About 7-cyclopropylsulfonyl-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one

7-cyclopropylsulfonyl-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (PubChem CID 127958529) has the molecular formula C12H17N3O3S and a molecular weight of 283.35 g/mol. Its IUPAC name is 7-cyclopropylsulfonyl-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-cyclopropylsulfonyl-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
PubChem CID127958529
Molecular FormulaC12H17N3O3S
Molecular Weight283.35 g/mol
Exact Mass283.10
IUPAC Name7-cyclopropylsulfonyl-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
SMILESCCn1cnc2c(c1=O)CCN(S(=O)(=O)C1CC1)C2
InChIInChI=1S/C12H17N3O3S/c1-2-14-8-13-11-7-15(6-5-10(11)12(14)16)19(17,18)9-3-4-9/h8-9H,2-7H2,1H3
InChIKeyMDCSBOKQEWBTRV-UHFFFAOYSA-N
XLogP0.11
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 50.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclopropylsulfonyl-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-cyclopropylsulfonyl-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one (CID 127958529) is 7-cyclopropylsulfonyl-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-cyclopropylsulfonyl-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-cyclopropylsulfonyl-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is CCn1cnc2c(c1=O)CCN(S(=O)(=O)C1CC1)C2.
What is the InChIKey of 7-cyclopropylsulfonyl-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
The InChIKey is MDCSBOKQEWBTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3S/c1-2-14-8-13-11-7-15(6-5-10(11)12(14)16)19(17,18)9-3-4-9/h8-9H,2-7H2,1H3.
What are the key properties of 7-cyclopropylsulfonyl-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one?
7-cyclopropylsulfonyl-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one has a molecular weight of 283.35 g/mol, XLogP of 0.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclopropylsulfonyl-3-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 127958529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).