4-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine

C19H19N5 — CID 136580212

IUPAC4-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine
SMILESCc1nc(-c2cccnc2)cc(N2CCNc3ccccc3C2)n1
InChIInChI=1S/C19H19N5/c1-14-22-18(15-6-4-8-20-12-15)11-19(23-14)24-10-9-21-17-7-3-2-5-16(17)13-24/h2-8,11-12,21H,9-10,13H2,1H3
InChIKeyHZCIXIMJBVGCTD-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.28
Rot. Bonds2

About 4-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine

4-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine (PubChem CID 136580212) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine.

Molecular Properties

Compound Name4-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine
PubChem CID136580212
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name4-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine
SMILESCc1nc(-c2cccnc2)cc(N2CCNc3ccccc3C2)n1
InChIInChI=1S/C19H19N5/c1-14-22-18(15-6-4-8-20-12-15)11-19(23-14)24-10-9-21-17-7-3-2-5-16(17)13-24/h2-8,11-12,21H,9-10,13H2,1H3
InChIKeyHZCIXIMJBVGCTD-UHFFFAOYSA-N
XLogP3.28
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidin-4-one
CID 94075450
4-(6-methyl-2-methylsulfonylpyrimidin-4-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine
CID 167774332
2-ethyl-4-piperazin-1-yl-6-pyridin-3-ylpyrimidine
CID 94075304
1-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)piperidine-2-carboxylic acid
CID 56767478
1-(2-methyl-6-phenylpyrimidin-4-yl)azepane
CID 16876766
4-(4-chlorophenyl)-6-piperazin-1-yl-2-pyridin-3-ylpyrimidine;hydrochloride
CID 156865983
2-[6-(2-fluorophenyl)-2-methylpyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 4550940
4-(4-methoxyphenyl)-2-methyl-6-pyridin-3-ylpyrimidine
CID 177437339
7-(2-methyl-6-pyridin-4-ylpyrimidin-4-yl)-2,5,6,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazin-3-one
CID 166217437
4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 4625280
2-(6-chloro-2-methylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 62483560
8-bromo-2-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-3,4-dihydro-1H-isoquinoline
CID 133309018

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine?
The IUPAC name of 4-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine (CID 136580212) is 4-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine.
What is the SMILES notation for 4-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine?
The canonical SMILES for 4-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine is Cc1nc(-c2cccnc2)cc(N2CCNc3ccccc3C2)n1.
What is the InChIKey of 4-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine?
The InChIKey is HZCIXIMJBVGCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-14-22-18(15-6-4-8-20-12-15)11-19(23-14)24-10-9-21-17-7-3-2-5-16(17)13-24/h2-8,11-12,21H,9-10,13H2,1H3.
What are the key properties of 4-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine?
4-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine has a molecular weight of 317.40 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-6-pyridin-3-ylpyrimidin-4-yl)-1,2,3,5-tetrahydro-1,4-benzodiazepine is sourced from PubChem (CID 136580212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).