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

C9H12ClN3 — CID 82192182

IUPAC2-chloro-4,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nc(Cl)nc2c1CN(C)CC2
InChIInChI=1S/C9H12ClN3/c1-6-7-5-13(2)4-3-8(7)12-9(10)11-6/h3-5H2,1-2H3
InChIKeyCAWVKNQFQJHVBM-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.43
Rot. Bonds

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

2-chloro-4,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 82192182) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-chloro-4,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID82192182
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name2-chloro-4,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1nc(Cl)nc2c1CN(C)CC2
InChIInChI=1S/C9H12ClN3/c1-6-7-5-13(2)4-3-8(7)12-9(10)11-6/h3-5H2,1-2H3
InChIKeyCAWVKNQFQJHVBM-UHFFFAOYSA-N
XLogP1.43
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 88883283
2-chloro-6-methyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 136982066
ethane;2,4,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 91352697
2,5,6,7,8-pentamethyl-3,4-dihydro-1H-isoquinoline
CID 22980472
2-chloro-4-methyl-5,7-dihydrothieno[3,4-d]pyrimidine 6,6-dioxide
CID 105473389
(7-chloro-2,6-dimethyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-10-yl)methanol
CID 82451741
4-[(1S)-1-aminoethyl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 83859124
1,4,6-trimethyl-5,7-dihydropyrrolo[3,4-d]pyridazine
CID 174263206
CID 59369476
CID 59369476
4-(2-aminoethyl)-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 83859127
(4-methyl-6-propyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl)cyanamide
CID 53215329
10-amino-2-methyl-3,4-dihydro-1H-benzo[b][1,6]naphthyridin-6-ol
CID 115008512

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 2-chloro-4,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 82192182) is 2-chloro-4,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 2-chloro-4,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 2-chloro-4,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1nc(Cl)nc2c1CN(C)CC2.
What is the InChIKey of 2-chloro-4,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is CAWVKNQFQJHVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-6-7-5-13(2)4-3-8(7)12-9(10)11-6/h3-5H2,1-2H3.
What are the key properties of 2-chloro-4,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
2-chloro-4,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 197.67 g/mol, XLogP of 1.43, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 82192182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).