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

C9H12ClN3 — CID 88883283

IUPAC2-chloro-4,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCc1nc(Cl)nc2c1CCN(C)C2
InChIInChI=1S/C9H12ClN3/c1-6-7-3-4-13(2)5-8(7)12-9(10)11-6/h3-5H2,1-2H3
InChIKeyZIVHXBJBFPLKBB-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.43
Rot. Bonds

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

2-chloro-4,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 88883283) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-chloro-4,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

Compound Name2-chloro-4,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
PubChem CID88883283
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name2-chloro-4,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
SMILESCc1nc(Cl)nc2c1CCN(C)C2
InChIInChI=1S/C9H12ClN3/c1-6-7-3-4-13(2)5-8(7)12-9(10)11-6/h3-5H2,1-2H3
InChIKeyZIVHXBJBFPLKBB-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-4,6-dimethyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 82192182
ethane;2,4,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 91352697
N,2,7-trimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-amine
CID 83862578
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
2,7-dimethyl-4-propan-2-yloxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 172576457
2,4-dichloro-7-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 105490423
4-[(2-chloro-7-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)-propylamino]-3-methylbutanenitrile
CID 142595126
1,4,6-trimethyl-5,7-dihydropyrrolo[3,4-d]pyridazine
CID 174263206
2-chloro-7-methyl-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
CID 82611382
2-[(2,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]acetic acid
CID 83842195
4,5-dichloro-1-methyl-3,6-dihydro-2H-pyridine
CID 130737113

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The IUPAC name of 2-chloro-4,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 88883283) is 2-chloro-4,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.
What is the SMILES notation for 2-chloro-4,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The canonical SMILES for 2-chloro-4,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is Cc1nc(Cl)nc2c1CCN(C)C2.
What is the InChIKey of 2-chloro-4,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
The InChIKey is ZIVHXBJBFPLKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-6-7-3-4-13(2)5-8(7)12-9(10)11-6/h3-5H2,1-2H3.
What are the key properties of 2-chloro-4,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?
2-chloro-4,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-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-4,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 88883283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).