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

C14H22N4 — CID 142805068

IUPAC6-ethyl-2-(pyrrolidin-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCN1CCc2nc(CN3CCCC3)ncc2C1
InChIInChI=1S/C14H22N4/c1-2-17-8-5-13-12(10-17)9-15-14(16-13)11-18-6-3-4-7-18/h9H,2-8,10-11H2,1H3
InChIKeyYTXHPAWVLYBEMJ-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.45
Rot. Bonds3

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

6-ethyl-2-(pyrrolidin-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 142805068) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 6-ethyl-2-(pyrrolidin-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-ethyl-2-(pyrrolidin-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID142805068
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name6-ethyl-2-(pyrrolidin-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCN1CCc2nc(CN3CCCC3)ncc2C1
InChIInChI=1S/C14H22N4/c1-2-17-8-5-13-12(10-17)9-15-14(16-13)11-18-6-3-4-7-18/h9H,2-8,10-11H2,1H3
InChIKeyYTXHPAWVLYBEMJ-UHFFFAOYSA-N
XLogP1.45
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 127011894
6-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912003
2-ethyl-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 126630251
6-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24912024
6-[(2,6-dimethylphenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928995
2-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24910029
6-[(2,3-dimethylimidazol-4-yl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24915783
5-methyl-3-[(2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,2-oxazole
CID 24916056
2-propyl-6-[(2,3,6-trifluorophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24928197
6-[(3,4-dichlorophenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929961
6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-3-ol
CID 119030367
6-[(2-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960723

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(pyrrolidin-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-ethyl-2-(pyrrolidin-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 142805068) is 6-ethyl-2-(pyrrolidin-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-ethyl-2-(pyrrolidin-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-ethyl-2-(pyrrolidin-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCN1CCc2nc(CN3CCCC3)ncc2C1.
What is the InChIKey of 6-ethyl-2-(pyrrolidin-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is YTXHPAWVLYBEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-17-8-5-13-12(10-17)9-15-14(16-13)11-18-6-3-4-7-18/h9H,2-8,10-11H2,1H3.
What are the key properties of 6-ethyl-2-(pyrrolidin-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-ethyl-2-(pyrrolidin-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 246.36 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(pyrrolidin-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 142805068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).