N-(5-chloro-1-methylpyrazol-4-yl)-6-methylquinazolin-2-amine

C13H12ClN5 — CID 175881515

IUPACN-(5-chloro-1-methylpyrazol-4-yl)-6-methylquinazolin-2-amine
SMILESCc1ccc2nc(Nc3cnn(C)c3Cl)ncc2c1
InChIInChI=1S/C13H12ClN5/c1-8-3-4-10-9(5-8)6-15-13(17-10)18-11-7-16-19(2)12(11)14/h3-7H,1-2H3,(H,15,17,18)
InChIKeyRODKMCHDIRFPDP-UHFFFAOYSA-N
MW273.73 g/mol
LogP3.07
Rot. Bonds2

About N-(5-chloro-1-methylpyrazol-4-yl)-6-methylquinazolin-2-amine

N-(5-chloro-1-methylpyrazol-4-yl)-6-methylquinazolin-2-amine (PubChem CID 175881515) has the molecular formula C13H12ClN5 and a molecular weight of 273.73 g/mol. Its IUPAC name is N-(5-chloro-1-methylpyrazol-4-yl)-6-methylquinazolin-2-amine.

Molecular Properties

Compound NameN-(5-chloro-1-methylpyrazol-4-yl)-6-methylquinazolin-2-amine
PubChem CID175881515
Molecular FormulaC13H12ClN5
Molecular Weight273.73 g/mol
Exact Mass273.08
IUPAC NameN-(5-chloro-1-methylpyrazol-4-yl)-6-methylquinazolin-2-amine
SMILESCc1ccc2nc(Nc3cnn(C)c3Cl)ncc2c1
InChIInChI=1S/C13H12ClN5/c1-8-3-4-10-9(5-8)6-15-13(17-10)18-11-7-16-19(2)12(11)14/h3-7H,1-2H3,(H,15,17,18)
InChIKeyRODKMCHDIRFPDP-UHFFFAOYSA-N
XLogP3.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1-methylpyrazol-4-yl)-6-methylquinazolin-2-amine?
The IUPAC name of N-(5-chloro-1-methylpyrazol-4-yl)-6-methylquinazolin-2-amine (CID 175881515) is N-(5-chloro-1-methylpyrazol-4-yl)-6-methylquinazolin-2-amine.
What is the SMILES notation for N-(5-chloro-1-methylpyrazol-4-yl)-6-methylquinazolin-2-amine?
The canonical SMILES for N-(5-chloro-1-methylpyrazol-4-yl)-6-methylquinazolin-2-amine is Cc1ccc2nc(Nc3cnn(C)c3Cl)ncc2c1.
What is the InChIKey of N-(5-chloro-1-methylpyrazol-4-yl)-6-methylquinazolin-2-amine?
The InChIKey is RODKMCHDIRFPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN5/c1-8-3-4-10-9(5-8)6-15-13(17-10)18-11-7-16-19(2)12(11)14/h3-7H,1-2H3,(H,15,17,18).
What are the key properties of N-(5-chloro-1-methylpyrazol-4-yl)-6-methylquinazolin-2-amine?
N-(5-chloro-1-methylpyrazol-4-yl)-6-methylquinazolin-2-amine has a molecular weight of 273.73 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1-methylpyrazol-4-yl)-6-methylquinazolin-2-amine is sourced from PubChem (CID 175881515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).