2,4-dimethyl-N-[(Z)-5-methylimino-5-(1,3-oxaborol-5-yl)pent-3-en-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide

C18H20BN5O2 — CID 174067791

IUPAC2,4-dimethyl-N-[(Z)-5-methylimino-5-(1,3-oxaborol-5-yl)pent-3-en-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESC/N=C(/C=C\C(C)NC(=O)c1ncn2c(C)cc(C)nc12)c1cbco1
InChIInChI=1S/C18H20BN5O2/c1-11(5-6-14(20-4)15-8-19-9-26-15)23-18(25)16-17-22-12(2)7-13(3)24(17)10-21-16/h5-11H,1-4H3,(H,23,25)/b6-5-,20-14-
InChIKeyOFBLEPMPQFDJFG-UUBSRMLHSA-N
MW349.20 g/mol
LogP2.07
Rot. Bonds5

About 2,4-dimethyl-N-[(Z)-5-methylimino-5-(1,3-oxaborol-5-yl)pent-3-en-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide

2,4-dimethyl-N-[(Z)-5-methylimino-5-(1,3-oxaborol-5-yl)pent-3-en-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide (PubChem CID 174067791) has the molecular formula C18H20BN5O2 and a molecular weight of 349.20 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(Z)-5-methylimino-5-(1,3-oxaborol-5-yl)pent-3-en-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(Z)-5-methylimino-5-(1,3-oxaborol-5-yl)pent-3-en-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
PubChem CID174067791
Molecular FormulaC18H20BN5O2
Molecular Weight349.20 g/mol
Exact Mass349.17
IUPAC Name2,4-dimethyl-N-[(Z)-5-methylimino-5-(1,3-oxaborol-5-yl)pent-3-en-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide
SMILESC/N=C(/C=C\C(C)NC(=O)c1ncn2c(C)cc(C)nc12)c1cbco1
InChIInChI=1S/C18H20BN5O2/c1-11(5-6-14(20-4)15-8-19-9-26-15)23-18(25)16-17-22-12(2)7-13(3)24(17)10-21-16/h5-11H,1-4H3,(H,23,25)/b6-5-,20-14-
InChIKeyOFBLEPMPQFDJFG-UUBSRMLHSA-N
XLogP2.07
TPSA84.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.20
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2,4-dimethyl-N-[(Z)-5-methylimino-5-(1,3-oxaborol-5-yl)pent-3-en-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide 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 2,4-dimethyl-N-[(Z)-5-methylimino-5-(1,3-oxaborol-5-yl)pent-3-en-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(Z)-5-methylimino-5-(1,3-oxaborol-5-yl)pent-3-en-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide (CID 174067791) is 2,4-dimethyl-N-[(Z)-5-methylimino-5-(1,3-oxaborol-5-yl)pent-3-en-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(Z)-5-methylimino-5-(1,3-oxaborol-5-yl)pent-3-en-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(Z)-5-methylimino-5-(1,3-oxaborol-5-yl)pent-3-en-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide is C/N=C(/C=C\C(C)NC(=O)c1ncn2c(C)cc(C)nc12)c1cbco1.
What is the InChIKey of 2,4-dimethyl-N-[(Z)-5-methylimino-5-(1,3-oxaborol-5-yl)pent-3-en-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide?
The InChIKey is OFBLEPMPQFDJFG-UUBSRMLHSA-N. The full InChI is InChI=1S/C18H20BN5O2/c1-11(5-6-14(20-4)15-8-19-9-26-15)23-18(25)16-17-22-12(2)7-13(3)24(17)10-21-16/h5-11H,1-4H3,(H,23,25)/b6-5-,20-14-.
What are the key properties of 2,4-dimethyl-N-[(Z)-5-methylimino-5-(1,3-oxaborol-5-yl)pent-3-en-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide?
2,4-dimethyl-N-[(Z)-5-methylimino-5-(1,3-oxaborol-5-yl)pent-3-en-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide has a molecular weight of 349.20 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(Z)-5-methylimino-5-(1,3-oxaborol-5-yl)pent-3-en-2-yl]imidazo[1,5-a]pyrimidine-8-carboxamide is sourced from PubChem (CID 174067791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).