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

C13H21N3O2S — CID 114742746

IUPAC2-(1-methylsulfonylethyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCCc1nc(C(C)S(C)(=O)=O)nc2c1CCNC2
InChIInChI=1S/C13H21N3O2S/c1-4-5-11-10-6-7-14-8-12(10)16-13(15-11)9(2)19(3,17)18/h9,14H,4-8H2,1-3H3
InChIKeyGAFLAHBXDAPOGP-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.18
Rot. Bonds4

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

2-(1-methylsulfonylethyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742746) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 2-(1-methylsulfonylethyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(1-methylsulfonylethyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742746
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name2-(1-methylsulfonylethyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCCc1nc(C(C)S(C)(=O)=O)nc2c1CCNC2
InChIInChI=1S/C13H21N3O2S/c1-4-5-11-10-6-7-14-8-12(10)16-13(15-11)9(2)19(3,17)18/h9,14H,4-8H2,1-3H3
InChIKeyGAFLAHBXDAPOGP-UHFFFAOYSA-N
XLogP1.18
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.18
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-ethyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742482
2,4-dipropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742569
2-(1-methylsulfonylethyl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741413
4-cyclopropyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739238
2-(1-methoxypropyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741092
2-(2,2-dimethylcyclopropyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107924851
2-(1-methoxy-2-methylpropyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739405
2-(azepan-1-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742589
2-(2,6-dimethyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107504809
2-(4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742681
N-ethyl-2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-amine
CID 105476716

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylsulfonylethyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(1-methylsulfonylethyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742746) is 2-(1-methylsulfonylethyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(1-methylsulfonylethyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(1-methylsulfonylethyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CCCc1nc(C(C)S(C)(=O)=O)nc2c1CCNC2.
What is the InChIKey of 2-(1-methylsulfonylethyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is GAFLAHBXDAPOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-4-5-11-10-6-7-14-8-12(10)16-13(15-11)9(2)19(3,17)18/h9,14H,4-8H2,1-3H3.
What are the key properties of 2-(1-methylsulfonylethyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-(1-methylsulfonylethyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 283.40 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylsulfonylethyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).