N-methyl-4-pyrazol-1-ylquinazolin-2-amine

C12H11N5 — CID 80854215

IUPACN-methyl-4-pyrazol-1-ylquinazolin-2-amine
SMILESCNc1nc(-n2cccn2)c2ccccc2n1
InChIInChI=1S/C12H11N5/c1-13-12-15-10-6-3-2-5-9(10)11(16-12)17-8-4-7-14-17/h2-8H,1H3,(H,13,15,16)
InChIKeyXQYQQGMUNTUQME-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.86
Rot. Bonds2

About N-methyl-4-pyrazol-1-ylquinazolin-2-amine

N-methyl-4-pyrazol-1-ylquinazolin-2-amine (PubChem CID 80854215) has the molecular formula C12H11N5 and a molecular weight of 225.25 g/mol. Its IUPAC name is N-methyl-4-pyrazol-1-ylquinazolin-2-amine.

Molecular Properties

Compound NameN-methyl-4-pyrazol-1-ylquinazolin-2-amine
PubChem CID80854215
Molecular FormulaC12H11N5
Molecular Weight225.25 g/mol
Exact Mass225.10
IUPAC NameN-methyl-4-pyrazol-1-ylquinazolin-2-amine
SMILESCNc1nc(-n2cccn2)c2ccccc2n1
InChIInChI=1S/C12H11N5/c1-13-12-15-10-6-3-2-5-9(10)11(16-12)17-8-4-7-14-17/h2-8H,1H3,(H,13,15,16)
InChIKeyXQYQQGMUNTUQME-UHFFFAOYSA-N
XLogP1.86
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-(4-methylpyrazol-1-yl)quinazolin-2-amine
CID 80852984
4-(3,4-dimethylpyrrolidin-1-yl)-N-methylquinazolin-2-amine
CID 80848720
N-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine
CID 80767148
3-methyl-4-[2-(methylamino)quinazolin-4-yl]piperazin-2-one
CID 80833936
2-N,4-N-dimethyl-4-N-phenyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80750664
4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylquinazolin-2-amine
CID 80805656
N-methyl-1-(2-pyrazol-1-ylquinolin-4-yl)methanamine
CID 62293254
N-methyl-4-(3-methylpiperidin-1-yl)quinazolin-2-amine
CID 80764711
4-(2,5-dimethylmorpholin-4-yl)-N-methylquinazolin-2-amine
CID 80787211
4-(4-fluorophenyl)-N-methylquinazolin-2-amine
CID 156576968
[4-(3-propan-2-ylpyrazol-1-yl)quinazolin-2-yl]hydrazine
CID 80901736
[4-[3-(trifluoromethyl)pyrazol-1-yl]quinazolin-2-yl]hydrazine
CID 80902116

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-pyrazol-1-ylquinazolin-2-amine?
The IUPAC name of N-methyl-4-pyrazol-1-ylquinazolin-2-amine (CID 80854215) is N-methyl-4-pyrazol-1-ylquinazolin-2-amine.
What is the SMILES notation for N-methyl-4-pyrazol-1-ylquinazolin-2-amine?
The canonical SMILES for N-methyl-4-pyrazol-1-ylquinazolin-2-amine is CNc1nc(-n2cccn2)c2ccccc2n1.
What is the InChIKey of N-methyl-4-pyrazol-1-ylquinazolin-2-amine?
The InChIKey is XQYQQGMUNTUQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5/c1-13-12-15-10-6-3-2-5-9(10)11(16-12)17-8-4-7-14-17/h2-8H,1H3,(H,13,15,16).
What are the key properties of N-methyl-4-pyrazol-1-ylquinazolin-2-amine?
N-methyl-4-pyrazol-1-ylquinazolin-2-amine has a molecular weight of 225.25 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-pyrazol-1-ylquinazolin-2-amine is sourced from PubChem (CID 80854215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).