N-methyl-4-(4-methylpyrazol-1-yl)quinazolin-2-amine

C13H13N5 — CID 80852984

IUPACN-methyl-4-(4-methylpyrazol-1-yl)quinazolin-2-amine
SMILESCNc1nc(-n2cc(C)cn2)c2ccccc2n1
InChIInChI=1S/C13H13N5/c1-9-7-15-18(8-9)12-10-5-3-4-6-11(10)16-13(14-2)17-12/h3-8H,1-2H3,(H,14,16,17)
InChIKeyBICNFSUBYOKDRQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.17
Rot. Bonds2

About N-methyl-4-(4-methylpyrazol-1-yl)quinazolin-2-amine

N-methyl-4-(4-methylpyrazol-1-yl)quinazolin-2-amine (PubChem CID 80852984) has the molecular formula C13H13N5 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-methyl-4-(4-methylpyrazol-1-yl)quinazolin-2-amine.

Molecular Properties

Compound NameN-methyl-4-(4-methylpyrazol-1-yl)quinazolin-2-amine
PubChem CID80852984
Molecular FormulaC13H13N5
Molecular Weight239.28 g/mol
Exact Mass239.12
IUPAC NameN-methyl-4-(4-methylpyrazol-1-yl)quinazolin-2-amine
SMILESCNc1nc(-n2cc(C)cn2)c2ccccc2n1
InChIInChI=1S/C13H13N5/c1-9-7-15-18(8-9)12-10-5-3-4-6-11(10)16-13(14-2)17-12/h3-8H,1-2H3,(H,14,16,17)
InChIKeyBICNFSUBYOKDRQ-UHFFFAOYSA-N
XLogP2.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-pyrazol-1-ylquinazolin-2-amine
CID 80854215
4-(4-iodopyrazol-1-yl)-N-propylquinazolin-2-amine
CID 80868653
5-bromo-N-methyl-4-(4-methylpyrazol-1-yl)pyrimidin-2-amine
CID 80852890
4-(4-bromopyrazol-1-yl)-N-propylquinazolin-2-amine
CID 80853083
4-(3,4-dimethylpyrrolidin-1-yl)-N-methylquinazolin-2-amine
CID 80848720
ethane;1-(4-methylpyrazol-1-yl)isoquinoline
CID 144804353
4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-methylquinazolin-2-amine
CID 80805656
N-methyl-4-(4-methylpiperidin-1-yl)quinazolin-2-amine
CID 80767148
2-(4-methylpyrazol-1-yl)quinoline-4-carboxylic acid
CID 60874419
4-(2,5-dimethylmorpholin-4-yl)-N-methylquinazolin-2-amine
CID 80787211
N-[[2-(4-methylpyrazol-1-yl)quinolin-4-yl]methyl]propan-2-amine
CID 62294566
2-N-methyl-4-N-(4-methylphenyl)quinazoline-2,4-diamine
CID 80761758

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(4-methylpyrazol-1-yl)quinazolin-2-amine?
The IUPAC name of N-methyl-4-(4-methylpyrazol-1-yl)quinazolin-2-amine (CID 80852984) is N-methyl-4-(4-methylpyrazol-1-yl)quinazolin-2-amine.
What is the SMILES notation for N-methyl-4-(4-methylpyrazol-1-yl)quinazolin-2-amine?
The canonical SMILES for N-methyl-4-(4-methylpyrazol-1-yl)quinazolin-2-amine is CNc1nc(-n2cc(C)cn2)c2ccccc2n1.
What is the InChIKey of N-methyl-4-(4-methylpyrazol-1-yl)quinazolin-2-amine?
The InChIKey is BICNFSUBYOKDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5/c1-9-7-15-18(8-9)12-10-5-3-4-6-11(10)16-13(14-2)17-12/h3-8H,1-2H3,(H,14,16,17).
What are the key properties of N-methyl-4-(4-methylpyrazol-1-yl)quinazolin-2-amine?
N-methyl-4-(4-methylpyrazol-1-yl)quinazolin-2-amine has a molecular weight of 239.28 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(4-methylpyrazol-1-yl)quinazolin-2-amine is sourced from PubChem (CID 80852984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).