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

C16H20N4 — CID 114742718

IUPAC2-(3-methyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCCc1nc(-c2ccncc2C)nc2c1CCNC2
InChIInChI=1S/C16H20N4/c1-3-4-14-13-6-8-18-10-15(13)20-16(19-14)12-5-7-17-9-11(12)2/h5,7,9,18H,3-4,6,8,10H2,1-2H3
InChIKeyNFGQHKPFLKXNRK-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.45
Rot. Bonds3

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

2-(3-methyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742718) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(3-methyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(3-methyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742718
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-(3-methyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCCc1nc(-c2ccncc2C)nc2c1CCNC2
InChIInChI=1S/C16H20N4/c1-3-4-14-13-6-8-18-10-15(13)20-16(19-14)12-5-7-17-9-11(12)2/h5,7,9,18H,3-4,6,8,10H2,1-2H3
InChIKeyNFGQHKPFLKXNRK-UHFFFAOYSA-N
XLogP2.45
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-methyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-fluoro-2-methylphenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742596
2-(4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742681
2-(2,6-dimethyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107504809
2-(2-bromo-4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107283053
2-(1-methylpyrazol-3-yl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742712
2,4-dipropyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742569
2-(3-ethyl-4-pyridinyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 114742965
5-(3-methyl-4-pyridinyl)-1,2,3,4-tetrahydroisoquinoline
CID 56877313
2-benzyl-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742724
2-(2-chloro-4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739485
4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742459
2-(3-bromo-4-methylphenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107916117

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(3-methyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742718) is 2-(3-methyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(3-methyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(3-methyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CCCc1nc(-c2ccncc2C)nc2c1CCNC2.
What is the InChIKey of 2-(3-methyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is NFGQHKPFLKXNRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-3-4-14-13-6-8-18-10-15(13)20-16(19-14)12-5-7-17-9-11(12)2/h5,7,9,18H,3-4,6,8,10H2,1-2H3.
What are the key properties of 2-(3-methyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-(3-methyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 268.36 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-4-pyridinyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).