6-cyclopropyl-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C11H15N3O2S — CID 83919864

IUPAC6-cyclopropyl-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCS(=O)(=O)c1ncc2c(n1)CCN(C1CC1)C2
InChIInChI=1S/C11H15N3O2S/c1-17(15,16)11-12-6-8-7-14(9-2-3-9)5-4-10(8)13-11/h6,9H,2-5,7H2,1H3
InChIKeyXHZOWVANPHTFCT-UHFFFAOYSA-N
MW253.33 g/mol
LogP0.40
Rot. Bonds2

About 6-cyclopropyl-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-cyclopropyl-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 83919864) has the molecular formula C11H15N3O2S and a molecular weight of 253.33 g/mol. Its IUPAC name is 6-cyclopropyl-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-cyclopropyl-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID83919864
Molecular FormulaC11H15N3O2S
Molecular Weight253.33 g/mol
Exact Mass253.09
IUPAC Name6-cyclopropyl-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCS(=O)(=O)c1ncc2c(n1)CCN(C1CC1)C2
InChIInChI=1S/C11H15N3O2S/c1-17(15,16)11-12-6-8-7-14(9-2-3-9)5-4-10(8)13-11/h6,9H,2-5,7H2,1H3
InChIKeyXHZOWVANPHTFCT-UHFFFAOYSA-N
XLogP0.40
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-cyclopropyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)ethanamine
CID 83917427
6-[(2,6-dichlorophenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928892
2-methylsulfonyl-6-[(2,3,6-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928199
2-methylsulfonyl-6-[(5-methylthiophen-2-yl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24908837
6-[(5-methyl-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24917695
[5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]furan-2-yl]methanol
CID 24908648
6-[(2-fluoro-3-pyridinyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913097
N,N-dimethyl-5-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]pyridin-2-amine
CID 24917716
6-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24930089
2-methylsulfonyl-6-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915302
6-[[6-(4-methylphenyl)-3-pyridinyl]methyl]-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24914168
2-[(2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]thieno[2,3-b]pyridine
CID 24917128

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-cyclopropyl-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 83919864) is 6-cyclopropyl-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-cyclopropyl-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-cyclopropyl-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CS(=O)(=O)c1ncc2c(n1)CCN(C1CC1)C2.
What is the InChIKey of 6-cyclopropyl-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is XHZOWVANPHTFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2S/c1-17(15,16)11-12-6-8-7-14(9-2-3-9)5-4-10(8)13-11/h6,9H,2-5,7H2,1H3.
What are the key properties of 6-cyclopropyl-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-cyclopropyl-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 253.33 g/mol, XLogP of 0.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-methylsulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 83919864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).