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

C14H21N3S — CID 114742641

IUPAC4-propyl-2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCCc1nc(C2CCCS2)nc2c1CCNC2
InChIInChI=1S/C14H21N3S/c1-2-4-11-10-6-7-15-9-12(10)17-14(16-11)13-5-3-8-18-13/h13,15H,2-9H2,1H3
InChIKeyLRSRVRPJQARHGR-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.64
Rot. Bonds3

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

4-propyl-2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742641) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 4-propyl-2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name4-propyl-2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742641
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name4-propyl-2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCCc1nc(C2CCCS2)nc2c1CCNC2
InChIInChI=1S/C14H21N3S/c1-2-4-11-10-6-7-15-9-12(10)17-14(16-11)13-5-3-8-18-13/h13,15H,2-9H2,1H3
InChIKeyLRSRVRPJQARHGR-UHFFFAOYSA-N
XLogP2.64
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2-dimethylcyclopropyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107924851
2,4-dipropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742569
2-(thiolan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941556
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742711
4-methyl-2-(4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)morpholine
CID 114742578
5-bromo-6-propyl-2-(thian-2-yl)pyrimidin-4-amine
CID 80638975
2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738356
2-(azepan-1-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742589
2-(thian-2-yl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739878
2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742724
5-propyl-3-(thian-2-yl)-1H-1,2,4-triazole
CID 80596502
2-(2,6-dimethyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107504809

Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 4-propyl-2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742641) is 4-propyl-2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 4-propyl-2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 4-propyl-2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CCCc1nc(C2CCCS2)nc2c1CCNC2.
What is the InChIKey of 4-propyl-2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is LRSRVRPJQARHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-2-4-11-10-6-7-15-9-12(10)17-14(16-11)13-5-3-8-18-13/h13,15H,2-9H2,1H3.
What are the key properties of 4-propyl-2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
4-propyl-2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 263.41 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-(thiolan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).