2-chloro-6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C9H12ClN3 — CID 127011894

IUPAC2-chloro-6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCN1CCc2nc(Cl)ncc2C1
InChIInChI=1S/C9H12ClN3/c1-2-13-4-3-8-7(6-13)5-11-9(10)12-8/h5H,2-4,6H2,1H3
InChIKeyDHYOTKHWZFVKIC-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.51
Rot. Bonds1

About 2-chloro-6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

2-chloro-6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 127011894) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-chloro-6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID127011894
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name2-chloro-6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCCN1CCc2nc(Cl)ncc2C1
InChIInChI=1S/C9H12ClN3/c1-2-13-4-3-8-7(6-13)5-11-9(10)12-8/h5H,2-4,6H2,1H3
InChIKeyDHYOTKHWZFVKIC-UHFFFAOYSA-N
XLogP1.51
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-2-(pyrrolidin-1-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 142805068
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
2,4-dichloro-7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 105490423
6-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 95865280
6-propyl-2-(4-propylpiperazin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 20960813
tert-butyl N-[2-[(6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)amino]ethyl]carbamate
CID 103278721
6-[(3,4-dichlorophenyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24929961
6-[(2,6-dichloro-3-pyridinyl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916719
6-[(4-chloro-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913725
6-[(6-chloro-2-methyl-3-pyridinyl)methyl]-2-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24916560
2-methyl-4-[(2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]-1,3-thiazole
CID 24915795

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-chloro-6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 127011894) is 2-chloro-6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-chloro-6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is CCN1CCc2nc(Cl)ncc2C1.
What is the InChIKey of 2-chloro-6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is DHYOTKHWZFVKIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-2-13-4-3-8-7(6-13)5-11-9(10)12-8/h5H,2-4,6H2,1H3.
What are the key properties of 2-chloro-6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-chloro-6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 197.67 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 127011894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).