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

C17H18ClN3 — CID 114739362

IUPAC2-(4-chlorophenyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESClc1ccc(-c2nc3c(c(C4CCC4)n2)CNCC3)cc1
InChIInChI=1S/C17H18ClN3/c18-13-6-4-12(5-7-13)17-20-15-8-9-19-10-14(15)16(21-17)11-2-1-3-11/h4-7,11,19H,1-3,8-10H2
InChIKeyPHENJDPBHBZDDC-UHFFFAOYSA-N
MW299.80 g/mol
LogP3.71
Rot. Bonds2

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

2-(4-chlorophenyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114739362) has the molecular formula C17H18ClN3 and a molecular weight of 299.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114739362
Molecular FormulaC17H18ClN3
Molecular Weight299.80 g/mol
Exact Mass299.12
IUPAC Name2-(4-chlorophenyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESClc1ccc(-c2nc3c(c(C4CCC4)n2)CNCC3)cc1
InChIInChI=1S/C17H18ClN3/c18-13-6-4-12(5-7-13)17-20-15-8-9-19-10-14(15)16(21-17)11-2-1-3-11/h4-7,11,19H,1-3,8-10H2
InChIKeyPHENJDPBHBZDDC-UHFFFAOYSA-N
XLogP3.71
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.80
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739651
2-(3-chloro-2-pyridinyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 103445613
4-cyclopropyl-2-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739566
4-cyclopropyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739119
2-(2-chloro-4-fluorophenyl)-4-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739157
4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739121
4-cyclopropyl-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739717
4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739325
3-[3-(4-chlorophenyl)-1H-1,2,4-triazol-5-yl]piperidine
CID 82569184
4-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 82043853
4-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737647
2-(4-chlorophenyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 115006280

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(4-chlorophenyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114739362) is 2-(4-chlorophenyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(4-chlorophenyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(4-chlorophenyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is Clc1ccc(-c2nc3c(c(C4CCC4)n2)CNCC3)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is PHENJDPBHBZDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c18-13-6-4-12(5-7-13)17-20-15-8-9-19-10-14(15)16(21-17)11-2-1-3-11/h4-7,11,19H,1-3,8-10H2.
What are the key properties of 2-(4-chlorophenyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(4-chlorophenyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 299.80 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114739362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).