6-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

C13H16ClN5 — CID 47035061

IUPAC6-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ncc2c(n1)CCN(Cc1ncc(Cl)n1C)C2
InChIInChI=1S/C13H16ClN5/c1-9-15-5-10-7-19(4-3-11(10)17-9)8-13-16-6-12(14)18(13)2/h5-6H,3-4,7-8H2,1-2H3
InChIKeyRXZWULZZVCFZLI-UHFFFAOYSA-N
MW277.76 g/mol
LogP1.73
Rot. Bonds2

About 6-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine

6-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (PubChem CID 47035061) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is 6-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.

Molecular Properties

Compound Name6-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
PubChem CID47035061
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC Name6-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
SMILESCc1ncc2c(n1)CCN(Cc1ncc(Cl)n1C)C2
InChIInChI=1S/C13H16ClN5/c1-9-15-5-10-7-19(4-3-11(10)17-9)8-13-16-6-12(14)18(13)2/h5-6H,3-4,7-8H2,1-2H3
InChIKeyRXZWULZZVCFZLI-UHFFFAOYSA-N
XLogP1.73
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The IUPAC name of 6-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine (CID 47035061) is 6-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine.
What is the SMILES notation for 6-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The canonical SMILES for 6-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is Cc1ncc2c(n1)CCN(Cc1ncc(Cl)n1C)C2.
What is the InChIKey of 6-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
The InChIKey is RXZWULZZVCFZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c1-9-15-5-10-7-19(4-3-11(10)17-9)8-13-16-6-12(14)18(13)2/h5-6H,3-4,7-8H2,1-2H3.
What are the key properties of 6-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine?
6-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine has a molecular weight of 277.76 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-chloro-1-methylimidazol-2-yl)methyl]-2-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine is sourced from PubChem (CID 47035061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).