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

C16H23N3 — CID 114739202

IUPAC4-cyclopropyl-2-(3-methylcyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC1CCC(c2nc3c(c(C4CC4)n2)CNCC3)C1
InChIInChI=1S/C16H23N3/c1-10-2-3-12(8-10)16-18-14-6-7-17-9-13(14)15(19-16)11-4-5-11/h10-12,17H,2-9H2,1H3
InChIKeyPVYWLQQIJBFUTM-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.90
Rot. Bonds2

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

4-cyclopropyl-2-(3-methylcyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114739202) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-cyclopropyl-2-(3-methylcyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-cyclopropyl-2-(3-methylcyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114739202
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-cyclopropyl-2-(3-methylcyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCC1CCC(c2nc3c(c(C4CC4)n2)CNCC3)C1
InChIInChI=1S/C16H23N3/c1-10-2-3-12(8-10)16-18-14-6-7-17-9-13(14)15(19-16)11-4-5-11/h10-12,17H,2-9H2,1H3
InChIKeyPVYWLQQIJBFUTM-UHFFFAOYSA-N
XLogP2.90
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(4-methylcyclohexyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 106779446
2-cyclooctyl-4-cyclopropyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739789
4-cyclopropyl-2-(4-propan-2-ylcyclohexyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739633
4-cyclopropyl-2-(1-methylsulfonylethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739238
4-cyclobutyl-2-(1-methylcyclopropyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739325
4-cyclopropyl-2-(1-methylpyrazol-4-yl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739119
4-cyclopropyl-2-(1-methoxycyclobutyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739107
4-methoxy-2-pyrrolidin-3-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 115040229
4-cyclopropyl-2-(3-fluoro-5-methylphenyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739121
2-cyclobutyl-N-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-amine
CID 105473130
2-(3-methylcyclohexyl)-4-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114739845
2-(2-chloro-4-fluorophenyl)-4-cyclopropyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114739157

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(3-methylcyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-cyclopropyl-2-(3-methylcyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114739202) is 4-cyclopropyl-2-(3-methylcyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-cyclopropyl-2-(3-methylcyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-cyclopropyl-2-(3-methylcyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CC1CCC(c2nc3c(c(C4CC4)n2)CNCC3)C1.
What is the InChIKey of 4-cyclopropyl-2-(3-methylcyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is PVYWLQQIJBFUTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-10-2-3-12(8-10)16-18-14-6-7-17-9-13(14)15(19-16)11-4-5-11/h10-12,17H,2-9H2,1H3.
What are the key properties of 4-cyclopropyl-2-(3-methylcyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-cyclopropyl-2-(3-methylcyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 257.38 g/mol, XLogP of 2.90, 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-methylcyclopentyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114739202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).