1,8-dimethyl-4-pyrimidin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

C14H17N5 — CID 97469083

IUPAC1,8-dimethyl-4-pyrimidin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCc1ccc2c(n1)N(C)CCN(c1ncccn1)C2
InChIInChI=1S/C14H17N5/c1-11-4-5-12-10-19(14-15-6-3-7-16-14)9-8-18(2)13(12)17-11/h3-7H,8-10H2,1-2H3
InChIKeyZXTIIWSKNRWIEX-UHFFFAOYSA-N
MW255.33 g/mol
LogP1.64
Rot. Bonds1

About 1,8-dimethyl-4-pyrimidin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine

1,8-dimethyl-4-pyrimidin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (PubChem CID 97469083) has the molecular formula C14H17N5 and a molecular weight of 255.33 g/mol. Its IUPAC name is 1,8-dimethyl-4-pyrimidin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.

Molecular Properties

Compound Name1,8-dimethyl-4-pyrimidin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
PubChem CID97469083
Molecular FormulaC14H17N5
Molecular Weight255.33 g/mol
Exact Mass255.15
IUPAC Name1,8-dimethyl-4-pyrimidin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
SMILESCc1ccc2c(n1)N(C)CCN(c1ncccn1)C2
InChIInChI=1S/C14H17N5/c1-11-4-5-12-10-19(14-15-6-3-7-16-14)9-8-18(2)13(12)17-11/h3-7H,8-10H2,1-2H3
InChIKeyZXTIIWSKNRWIEX-UHFFFAOYSA-N
XLogP1.64
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.33
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1,8-dimethyl-4-pyrimidin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethyl-4-pyrimidin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The IUPAC name of 1,8-dimethyl-4-pyrimidin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine (CID 97469083) is 1,8-dimethyl-4-pyrimidin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine.
What is the SMILES notation for 1,8-dimethyl-4-pyrimidin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The canonical SMILES for 1,8-dimethyl-4-pyrimidin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is Cc1ccc2c(n1)N(C)CCN(c1ncccn1)C2.
What is the InChIKey of 1,8-dimethyl-4-pyrimidin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
The InChIKey is ZXTIIWSKNRWIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5/c1-11-4-5-12-10-19(14-15-6-3-7-16-14)9-8-18(2)13(12)17-11/h3-7H,8-10H2,1-2H3.
What are the key properties of 1,8-dimethyl-4-pyrimidin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine?
1,8-dimethyl-4-pyrimidin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine has a molecular weight of 255.33 g/mol, XLogP of 1.64, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethyl-4-pyrimidin-2-yl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine is sourced from PubChem (CID 97469083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).