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

C16H17ClN4 — CID 103445613

IUPAC2-(3-chloro-2-pyridinyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESClc1cccnc1-c1nc2c(c(C3CCC3)n1)CNCC2
InChIInChI=1S/C16H17ClN4/c17-12-5-2-7-19-15(12)16-20-13-6-8-18-9-11(13)14(21-16)10-3-1-4-10/h2,5,7,10,18H,1,3-4,6,8-9H2
InChIKeyLOOYFVINIUFXNQ-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.11
Rot. Bonds2

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

2-(3-chloro-2-pyridinyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 103445613) has the molecular formula C16H17ClN4 and a molecular weight of 300.79 g/mol. Its IUPAC name is 2-(3-chloro-2-pyridinyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(3-chloro-2-pyridinyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID103445613
Molecular FormulaC16H17ClN4
Molecular Weight300.79 g/mol
Exact Mass300.11
IUPAC Name2-(3-chloro-2-pyridinyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESClc1cccnc1-c1nc2c(c(C3CCC3)n1)CNCC2
InChIInChI=1S/C16H17ClN4/c17-12-5-2-7-19-15(12)16-20-13-6-8-18-9-11(13)14(21-16)10-3-1-4-10/h2,5,7,10,18H,1,3-4,6,8-9H2
InChIKeyLOOYFVINIUFXNQ-UHFFFAOYSA-N
XLogP3.11
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3-chloro-2-pyridinyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-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-chlorophenyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739362
2-(3-chloro-2-pyridinyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136847822
4-chloro-2-(3-chloro-2-pyridinyl)-6-cyclopentyl-5-iodopyrimidine
CID 103443032
4-cyclopropyl-2-(3-ethyl-2-pyridinyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739705
2-(2-chloro-4-fluorophenyl)-4-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739157
4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739325
2-(3-chloro-2-pyridinyl)-5,6,7,8-tetrahydro-1H-pyrido[4,3-d]pyrimidine-4-thione
CID 106482764
4-cyclobutyl-2-(3-methoxypentan-3-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739300
methyl 2-(3-methyl-2-pyridinyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine-4-carboxylate
CID 114738183
3-chloro-2-(3-chloro-2-pyridinyl)pyridine;palladium(2+)
CID 18935247
4-cyclopropyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739119
2-(3-chloro-2-pyridinyl)-4-cyclopentyl-1H-pyrimidin-6-one
CID 136847785

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-pyridinyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(3-chloro-2-pyridinyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 103445613) is 2-(3-chloro-2-pyridinyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(3-chloro-2-pyridinyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(3-chloro-2-pyridinyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is Clc1cccnc1-c1nc2c(c(C3CCC3)n1)CNCC2.
What is the InChIKey of 2-(3-chloro-2-pyridinyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is LOOYFVINIUFXNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4/c17-12-5-2-7-19-15(12)16-20-13-6-8-18-9-11(13)14(21-16)10-3-1-4-10/h2,5,7,10,18H,1,3-4,6,8-9H2.
What are the key properties of 2-(3-chloro-2-pyridinyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(3-chloro-2-pyridinyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 300.79 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-pyridinyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 103445613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).