4-ethyl-2-(ethylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C12H19N3S — CID 114738526

IUPAC4-ethyl-2-(ethylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCSCc1nc(CC)c2c(n1)CCNC2
InChIInChI=1S/C12H19N3S/c1-3-10-9-7-13-6-5-11(9)15-12(14-10)8-16-4-2/h13H,3-8H2,1-2H3
InChIKeyBXPXBAMKDPUBNU-UHFFFAOYSA-N
MW237.37 g/mol
LogP1.94
Rot. Bonds4

About 4-ethyl-2-(ethylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-ethyl-2-(ethylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114738526) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 4-ethyl-2-(ethylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-ethyl-2-(ethylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114738526
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name4-ethyl-2-(ethylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCSCc1nc(CC)c2c(n1)CCNC2
InChIInChI=1S/C12H19N3S/c1-3-10-9-7-13-6-5-11(9)15-12(14-10)8-16-4-2/h13H,3-8H2,1-2H3
InChIKeyBXPXBAMKDPUBNU-UHFFFAOYSA-N
XLogP1.94
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropylsulfanylmethyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739489
4-methyl-2-(propylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737879
4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738589
4-ethyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738508
2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 103151390
4-propyl-2-(propylsulfanylmethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741083
4-ethyl-2-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740706
2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738674
2-[(3-chlorophenyl)sulfanylmethyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740778
2-(ethylsulfanylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106471981
2-(propylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738461
2-[(4-chlorophenyl)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742421

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(ethylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-ethyl-2-(ethylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114738526) is 4-ethyl-2-(ethylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-ethyl-2-(ethylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-ethyl-2-(ethylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCSCc1nc(CC)c2c(n1)CCNC2.
What is the InChIKey of 4-ethyl-2-(ethylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is BXPXBAMKDPUBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-3-10-9-7-13-6-5-11(9)15-12(14-10)8-16-4-2/h13H,3-8H2,1-2H3.
What are the key properties of 4-ethyl-2-(ethylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-ethyl-2-(ethylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 237.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(ethylsulfanylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114738526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).