2-(3-ethylcyclopentyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

C17H27N3 — CID 114742917

IUPAC2-(3-ethylcyclopentyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCC1CCC(c2nc3c(c(C(C)C)n2)CCNC3)C1
InChIInChI=1S/C17H27N3/c1-4-12-5-6-13(9-12)17-19-15-10-18-8-7-14(15)16(20-17)11(2)3/h11-13,18H,4-10H2,1-3H3
InChIKeySVEOUPUYMCIICS-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.54
Rot. Bonds3

About 2-(3-ethylcyclopentyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine

2-(3-ethylcyclopentyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (PubChem CID 114742917) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(3-ethylcyclopentyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-(3-ethylcyclopentyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
PubChem CID114742917
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name2-(3-ethylcyclopentyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
SMILESCCC1CCC(c2nc3c(c(C(C)C)n2)CCNC3)C1
InChIInChI=1S/C17H27N3/c1-4-12-5-6-13(9-12)17-19-15-10-18-8-7-14(15)16(20-17)11(2)3/h11-13,18H,4-10H2,1-3H3
InChIKeySVEOUPUYMCIICS-UHFFFAOYSA-N
XLogP3.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-ethylcyclohexyl)-4-methyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742191
2-(3-ethylcyclopentyl)-4-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741165
methyl 2-(3-ethylcyclopentyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine-4-carboxylate
CID 114741585
2-butan-2-yl-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742839
2-cycloheptyl-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741398
2,4-di(propan-2-yl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742866
2-(3-methyl-1,4-dithian-2-yl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742901
2-(oxan-4-yl)-4-propan-2-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114741250
2-cyclopropyl-4-ethoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 105474414
2-(3-ethylcyclopentyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 65405405
4-methyl-3-(4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)thiomorpholine
CID 106446235
2-(1-methoxyethyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742924

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylcyclopentyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The IUPAC name of 2-(3-ethylcyclopentyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine (CID 114742917) is 2-(3-ethylcyclopentyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-(3-ethylcyclopentyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-(3-ethylcyclopentyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is CCC1CCC(c2nc3c(c(C(C)C)n2)CCNC3)C1.
What is the InChIKey of 2-(3-ethylcyclopentyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
The InChIKey is SVEOUPUYMCIICS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-4-12-5-6-13(9-12)17-19-15-10-18-8-7-14(15)16(20-17)11(2)3/h11-13,18H,4-10H2,1-3H3.
What are the key properties of 2-(3-ethylcyclopentyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine?
2-(3-ethylcyclopentyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine has a molecular weight of 273.42 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylcyclopentyl)-4-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine is sourced from PubChem (CID 114742917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).