4-cyclopropyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C13H19N3O2S — CID 114739238

IUPAC4-cyclopropyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC(c1nc2c(c(C3CC3)n1)CNCC2)S(C)(=O)=O
InChIInChI=1S/C13H19N3O2S/c1-8(19(2,17)18)13-15-11-5-6-14-7-10(11)12(16-13)9-3-4-9/h8-9,14H,3-7H2,1-2H3
InChIKeyBEBHOFKURALURL-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.11
Rot. Bonds3

About 4-cyclopropyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-cyclopropyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114739238) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is 4-cyclopropyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114739238
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC Name4-cyclopropyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC(c1nc2c(c(C3CC3)n1)CNCC2)S(C)(=O)=O
InChIInChI=1S/C13H19N3O2S/c1-8(19(2,17)18)13-15-11-5-6-14-7-10(11)12(16-13)9-3-4-9/h8-9,14H,3-7H2,1-2H3
InChIKeyBEBHOFKURALURL-UHFFFAOYSA-N
XLogP1.11
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylsulfonylethyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739562
4-cyclopropyl-2-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739712
2-(1-methylsulfonylethyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742746
2-(1-methylsulfonylethyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741413
4-cyclopropyl-2-(3-methylcyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739202
4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739325
4-cyclopropyl-2-(1-methoxycyclobutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739107
4-cyclopropyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739119
4-cyclopropyl-2-[cyclopropyl(methoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739677
4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739121
N-methyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116633187
4-cyclopropyl-2-[cyclopropyl(ethoxy)methyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739764

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-cyclopropyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114739238) is 4-cyclopropyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CC(c1nc2c(c(C3CC3)n1)CNCC2)S(C)(=O)=O.
What is the InChIKey of 4-cyclopropyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is BEBHOFKURALURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c1-8(19(2,17)18)13-15-11-5-6-14-7-10(11)12(16-13)9-3-4-9/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 4-cyclopropyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-cyclopropyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 281.38 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114739238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).