4-amino-2,6-dimethyl-N-(1H-pyrazol-5-yl)quinazoline-8-carboxamide

C14H14N6O — CID 51003483

IUPAC4-amino-2,6-dimethyl-N-(1H-pyrazol-5-yl)quinazoline-8-carboxamide
SMILESCc1cc(C(=O)Nc2ccn[nH]2)c2nc(C)nc(N)c2c1
InChIInChI=1S/C14H14N6O/c1-7-5-9-12(17-8(2)18-13(9)15)10(6-7)14(21)19-11-3-4-16-20-11/h3-6H,1-2H3,(H2,15,17,18)(H2,16,19,20,21)
InChIKeyICOTWOFYQBMZHO-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.80
Rot. Bonds2

About 4-amino-2,6-dimethyl-N-(1H-pyrazol-5-yl)quinazoline-8-carboxamide

4-amino-2,6-dimethyl-N-(1H-pyrazol-5-yl)quinazoline-8-carboxamide (PubChem CID 51003483) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-amino-2,6-dimethyl-N-(1H-pyrazol-5-yl)quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-amino-2,6-dimethyl-N-(1H-pyrazol-5-yl)quinazoline-8-carboxamide
PubChem CID51003483
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name4-amino-2,6-dimethyl-N-(1H-pyrazol-5-yl)quinazoline-8-carboxamide
SMILESCc1cc(C(=O)Nc2ccn[nH]2)c2nc(C)nc(N)c2c1
InChIInChI=1S/C14H14N6O/c1-7-5-9-12(17-8(2)18-13(9)15)10(6-7)14(21)19-11-3-4-16-20-11/h3-6H,1-2H3,(H2,15,17,18)(H2,16,19,20,21)
InChIKeyICOTWOFYQBMZHO-UHFFFAOYSA-N
XLogP1.80
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,6-dimethyl-N-(1H-pyrazol-5-yl)quinazoline-8-carboxamide?
The IUPAC name of 4-amino-2,6-dimethyl-N-(1H-pyrazol-5-yl)quinazoline-8-carboxamide (CID 51003483) is 4-amino-2,6-dimethyl-N-(1H-pyrazol-5-yl)quinazoline-8-carboxamide.
What is the SMILES notation for 4-amino-2,6-dimethyl-N-(1H-pyrazol-5-yl)quinazoline-8-carboxamide?
The canonical SMILES for 4-amino-2,6-dimethyl-N-(1H-pyrazol-5-yl)quinazoline-8-carboxamide is Cc1cc(C(=O)Nc2ccn[nH]2)c2nc(C)nc(N)c2c1.
What is the InChIKey of 4-amino-2,6-dimethyl-N-(1H-pyrazol-5-yl)quinazoline-8-carboxamide?
The InChIKey is ICOTWOFYQBMZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-7-5-9-12(17-8(2)18-13(9)15)10(6-7)14(21)19-11-3-4-16-20-11/h3-6H,1-2H3,(H2,15,17,18)(H2,16,19,20,21).
What are the key properties of 4-amino-2,6-dimethyl-N-(1H-pyrazol-5-yl)quinazoline-8-carboxamide?
4-amino-2,6-dimethyl-N-(1H-pyrazol-5-yl)quinazoline-8-carboxamide has a molecular weight of 282.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,6-dimethyl-N-(1H-pyrazol-5-yl)quinazoline-8-carboxamide is sourced from PubChem (CID 51003483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).