4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

C17H18FN3 — CID 114739121

IUPAC4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1cc(F)cc(-c2nc3c(c(C4CC4)n2)CNCC3)c1
InChIInChI=1S/C17H18FN3/c1-10-6-12(8-13(18)7-10)17-20-15-4-5-19-9-14(15)16(21-17)11-2-3-11/h6-8,11,19H,2-5,9H2,1H3
InChIKeyPOVULMATLAZEPT-UHFFFAOYSA-N
MW283.35 g/mol
LogP3.11
Rot. Bonds2

About 4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine

4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114739121) has the molecular formula C17H18FN3 and a molecular weight of 283.35 g/mol. Its IUPAC name is 4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114739121
Molecular FormulaC17H18FN3
Molecular Weight283.35 g/mol
Exact Mass283.15
IUPAC Name4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCc1cc(F)cc(-c2nc3c(c(C4CC4)n2)CNCC3)c1
InChIInChI=1S/C17H18FN3/c1-10-6-12(8-13(18)7-10)17-20-15-4-5-19-9-14(15)16(21-17)11-2-3-11/h6-8,11,19H,2-5,9H2,1H3
InChIKeyPOVULMATLAZEPT-UHFFFAOYSA-N
XLogP3.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739621
4-cyclopropyl-2-(4-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739566
2-(3-fluoro-5-methylphenyl)-4-methyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740173
2-(3-fluoro-5-methylphenyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742883
2-(4-chlorophenyl)-4-cyclobutyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739362
4-cyclopropyl-2-(5-fluoro-2-methylphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739774
5-cyclopentyl-3-(3-fluoro-5-methylphenyl)-1H-1,2,4-triazole
CID 113395924
4-cyclopropyl-2-(4-methoxyphenyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739717
4-cyclopropyl-2-(3-methylcyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739202
4-methyl-2-(4-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737647

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114739121) is 4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is Cc1cc(F)cc(-c2nc3c(c(C4CC4)n2)CNCC3)c1.
What is the InChIKey of 4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is POVULMATLAZEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3/c1-10-6-12(8-13(18)7-10)17-20-15-4-5-19-9-14(15)16(21-17)11-2-3-11/h6-8,11,19H,2-5,9H2,1H3.
What are the key properties of 4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 283.35 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114739121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).