2-ethyl-7-(1-pyridin-3-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C16H20N4 — CID 56781669

IUPAC2-ethyl-7-(1-pyridin-3-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCc1ncc2c(n1)CN(C(C)c1cccnc1)CC2
InChIInChI=1S/C16H20N4/c1-3-16-18-10-14-6-8-20(11-15(14)19-16)12(2)13-5-4-7-17-9-13/h4-5,7,9-10,12H,3,6,8,11H2,1-2H3
InChIKeyIZTGUCLMBBWXAS-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.55
Rot. Bonds3

About 2-ethyl-7-(1-pyridin-3-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

2-ethyl-7-(1-pyridin-3-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 56781669) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-ethyl-7-(1-pyridin-3-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-ethyl-7-(1-pyridin-3-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID56781669
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name2-ethyl-7-(1-pyridin-3-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCc1ncc2c(n1)CN(C(C)c1cccnc1)CC2
InChIInChI=1S/C16H20N4/c1-3-16-18-10-14-6-8-20(11-15(14)19-16)12(2)13-5-4-7-17-9-13/h4-5,7,9-10,12H,3,6,8,11H2,1-2H3
InChIKeyIZTGUCLMBBWXAS-UHFFFAOYSA-N
XLogP2.55
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 164923785
2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one
CID 56754351
7-[2-(benzenesulfinyl)ethyl]-2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 56781678
2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 126792536
1-[(1S)-1-(1-methylimidazol-2-yl)propyl]-4-[(1S)-1-pyridin-3-ylethyl]piperazine
CID 99788947
2-ethyl-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 126630251
2-ethyl-7-(8-fluoro-2-methylquinolin-4-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 133388576
(2R)-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]propanoic acid
CID 124512132
4-propyl-1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 65065016
1-[2-(1,3-dioxolan-2-yl)ethyl]-4-(1-pyridin-3-ylethyl)piperazine
CID 75509202
4-[4-[(1S)-1-pyridin-3-ylethyl]piperazin-1-yl]quinoline
CID 124885067
(1R)-1-phenyl-2-[4-[(1R)-1-pyridin-3-ylethyl]piperazin-1-yl]ethanol
CID 95322338

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-7-(1-pyridin-3-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-ethyl-7-(1-pyridin-3-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 56781669) is 2-ethyl-7-(1-pyridin-3-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-ethyl-7-(1-pyridin-3-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-ethyl-7-(1-pyridin-3-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CCc1ncc2c(n1)CN(C(C)c1cccnc1)CC2.
What is the InChIKey of 2-ethyl-7-(1-pyridin-3-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is IZTGUCLMBBWXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-3-16-18-10-14-6-8-20(11-15(14)19-16)12(2)13-5-4-7-17-9-13/h4-5,7,9-10,12H,3,6,8,11H2,1-2H3.
What are the key properties of 2-ethyl-7-(1-pyridin-3-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-ethyl-7-(1-pyridin-3-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 268.36 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-7-(1-pyridin-3-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 56781669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).