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

C9H11Cl2N3 — CID 105490423

IUPAC2,4-dichloro-7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCN1CCc2c(Cl)nc(Cl)nc2C1
InChIInChI=1S/C9H11Cl2N3/c1-2-14-4-3-6-7(5-14)12-9(11)13-8(6)10/h2-5H2,1H3
InChIKeyXBVLJBZDXROIHO-UHFFFAOYSA-N
MW232.11 g/mol
LogP2.16
Rot. Bonds1

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

2,4-dichloro-7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 105490423) has the molecular formula C9H11Cl2N3 and a molecular weight of 232.11 g/mol. Its IUPAC name is 2,4-dichloro-7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2,4-dichloro-7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID105490423
Molecular FormulaC9H11Cl2N3
Molecular Weight232.11 g/mol
Exact Mass231.03
IUPAC Name2,4-dichloro-7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCCN1CCc2c(Cl)nc(Cl)nc2C1
InChIInChI=1S/C9H11Cl2N3/c1-2-14-4-3-6-7(5-14)12-9(11)13-8(6)10/h2-5H2,1H3
InChIKeyXBVLJBZDXROIHO-UHFFFAOYSA-N
XLogP2.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.11
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dichloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)acetonitrile
CID 146409718
2,4-dichloro-N,N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxamide
CID 146405493
2-chloro-6-ethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 127011894
3-(2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)propanamide
CID 87650656
7-ethyl-2-(trifluoromethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135866026
2-chloro-4,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 88883283
5,7-dichloro-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 58157202
1-chloroethyl 2,4-dichloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate
CID 58812787
2,4-dichloro-6-(naphthalen-1-ylmethyl)-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 166056835
7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-4-carboxylic acid
CID 83916551
tert-butyl 2,4-dichloro-5,7-dihydropyrrolo[3,4-d]pyrimidine-6-carboxylate;propane
CID 166476563
[(1R)-1-chloroethyl] 2,4-dichloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carboxylate
CID 86336226

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2,4-dichloro-7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 105490423) is 2,4-dichloro-7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2,4-dichloro-7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2,4-dichloro-7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CCN1CCc2c(Cl)nc(Cl)nc2C1.
What is the InChIKey of 2,4-dichloro-7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is XBVLJBZDXROIHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3/c1-2-14-4-3-6-7(5-14)12-9(11)13-8(6)10/h2-5H2,1H3.
What are the key properties of 2,4-dichloro-7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2,4-dichloro-7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 232.11 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 105490423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).