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

C15H18N4 — CID 114738508

IUPAC4-ethyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCc1nc(Cc2ccccn2)nc2c1CNCC2
InChIInChI=1S/C15H18N4/c1-2-13-12-10-16-8-6-14(12)19-15(18-13)9-11-5-3-4-7-17-11/h3-5,7,16H,2,6,8-10H2,1H3
InChIKeyCILLCMNSIJOKJG-UHFFFAOYSA-N
MW254.34 g/mol
LogP1.67
Rot. Bonds3

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

4-ethyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (PubChem CID 114738508) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 4-ethyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name4-ethyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
PubChem CID114738508
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name4-ethyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
SMILESCCc1nc(Cc2ccccn2)nc2c1CNCC2
InChIInChI=1S/C15H18N4/c1-2-13-12-10-16-8-6-14(12)19-15(18-13)9-11-5-3-4-7-17-11/h3-5,7,16H,2,6,8-10H2,1H3
InChIKeyCILLCMNSIJOKJG-UHFFFAOYSA-N
XLogP1.67
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-pyrimidin-2-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738589
2-[(3-chloro-2-fluorophenyl)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114738674
[4-methyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydroquinazolin-6-yl]methanamine
CID 81424457
2-[(4-chlorophenyl)methyl]-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742421
2-[2-(2,2-difluoroethoxy)ethyl]-4-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 103151390
2-[(3-chlorophenyl)methyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740703
4-chloro-5-ethyl-6-methyl-2-(pyridin-2-ylmethyl)pyrimidine
CID 54898230
5-bromo-4-chloro-6-propyl-2-(pyridin-2-ylmethyl)pyrimidine
CID 66292535
5-bromo-N-methyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66305558
5-bromo-N-ethyl-6-propyl-2-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 66305362
4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742459
4-ethyl-2-propyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740706

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The IUPAC name of 4-ethyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine (CID 114738508) is 4-ethyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine.
What is the SMILES notation for 4-ethyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The canonical SMILES for 4-ethyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is CCc1nc(Cc2ccccn2)nc2c1CNCC2.
What is the InChIKey of 4-ethyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
The InChIKey is CILLCMNSIJOKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-13-12-10-16-8-6-14(12)19-15(18-13)9-11-5-3-4-7-17-11/h3-5,7,16H,2,6,8-10H2,1H3.
What are the key properties of 4-ethyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine?
4-ethyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine has a molecular weight of 254.34 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(pyridin-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine is sourced from PubChem (CID 114738508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).