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

C15H15ClFN3 — CID 114738485

IUPAC2-(3-chloro-4-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCc1nc(-c2ccc(F)c(Cl)c2)nc2c1CNCC2
InChIInChI=1S/C15H15ClFN3/c1-2-13-10-8-18-6-5-14(10)20-15(19-13)9-3-4-12(17)11(16)7-9/h3-4,7,18H,2,5-6,8H2,1H3
InChIKeyUMSMLEMTYRXQNO-UHFFFAOYSA-N
MW291.76 g/mol
LogP3.14
Rot. Bonds2

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

2-(3-chloro-4-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114738485) has the molecular formula C15H15ClFN3 and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-(3-chloro-4-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-(3-chloro-4-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114738485
Molecular FormulaC15H15ClFN3
Molecular Weight291.76 g/mol
Exact Mass291.09
IUPAC Name2-(3-chloro-4-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCc1nc(-c2ccc(F)c(Cl)c2)nc2c1CNCC2
InChIInChI=1S/C15H15ClFN3/c1-2-13-10-8-18-6-5-14(10)20-15(19-13)9-3-4-12(17)11(16)7-9/h3-4,7,18H,2,5-6,8H2,1H3
InChIKeyUMSMLEMTYRXQNO-UHFFFAOYSA-N
XLogP3.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dichlorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739556
2-(3,4-dichlorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742556
2-[2-(3-chloro-4-fluorophenyl)-4,6-diethylpyrimidin-5-yl]ethanamine
CID 79220557
2-(3,5-dichlorophenyl)-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 107918389
2-(3-chloro-4-fluorophenyl)-N-ethyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 63485428
2-(3,4-dichlorophenyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741176
2-(4-fluoro-3-methylphenyl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737805
5-bromo-2-(3-chloro-4-fluorophenyl)-6-ethylpyrimidin-4-amine
CID 66300010
4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738589
2-(2-chloro-4-fluorophenyl)-4-propyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739485
2-(3-bromo-4-methylphenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 107916117
2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738674

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 2-(3-chloro-4-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114738485) is 2-(3-chloro-4-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-(3-chloro-4-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-(3-chloro-4-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCc1nc(-c2ccc(F)c(Cl)c2)nc2c1CNCC2.
What is the InChIKey of 2-(3-chloro-4-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is UMSMLEMTYRXQNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3/c1-2-13-10-8-18-6-5-14(10)20-15(19-13)9-3-4-12(17)11(16)7-9/h3-4,7,18H,2,5-6,8H2,1H3.
What are the key properties of 2-(3-chloro-4-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
2-(3-chloro-4-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 291.76 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-fluorophenyl)-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114738485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).