6-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]quinazolin-4-amine

C20H19N5 — CID 133449161

IUPAC6-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]quinazolin-4-amine
SMILESCc1ccc2ncnc(NCc3cn(C)nc3-c3ccccc3)c2c1
InChIInChI=1S/C20H19N5/c1-14-8-9-18-17(10-14)20(23-13-22-18)21-11-16-12-25(2)24-19(16)15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,21,22,23)
InChIKeyNDKUGBBSZAOUFS-UHFFFAOYSA-N
MW329.41 g/mol
LogP3.95
Rot. Bonds4

About 6-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]quinazolin-4-amine

6-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]quinazolin-4-amine (PubChem CID 133449161) has the molecular formula C20H19N5 and a molecular weight of 329.41 g/mol. Its IUPAC name is 6-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name6-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]quinazolin-4-amine
PubChem CID133449161
Molecular FormulaC20H19N5
Molecular Weight329.41 g/mol
Exact Mass329.16
IUPAC Name6-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]quinazolin-4-amine
SMILESCc1ccc2ncnc(NCc3cn(C)nc3-c3ccccc3)c2c1
InChIInChI=1S/C20H19N5/c1-14-8-9-18-17(10-14)20(23-13-22-18)21-11-16-12-25(2)24-19(16)15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,21,22,23)
InChIKeyNDKUGBBSZAOUFS-UHFFFAOYSA-N
XLogP3.95
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-N-[(1-phenylpyrazol-3-yl)methyl]quinazolin-4-amine
CID 133277823
3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
CID 133475736
1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one
CID 133449127
4-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]quinoline-3-carbonitrile
CID 133449169
3-chloro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5-nitropyridin-2-amine
CID 133449211
5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 133449160
1-(4-methylphenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]tetrazol-5-amine
CID 133449188
N-[(2-methoxy-4-methylphenyl)methyl]quinazolin-4-amine
CID 91644459
3-bromo-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5-nitropyridin-2-amine
CID 133449094
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-6-methylquinazolin-4-amine
CID 133269867
6-methyl-N-(2-methyl-2-methylsulfanylpropyl)quinazolin-4-amine
CID 133327399
3-fluoro-4-[[(6-methylquinazolin-4-yl)amino]methyl]benzonitrile
CID 99814684

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]quinazolin-4-amine?
The IUPAC name of 6-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]quinazolin-4-amine (CID 133449161) is 6-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]quinazolin-4-amine.
What is the SMILES notation for 6-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]quinazolin-4-amine?
The canonical SMILES for 6-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]quinazolin-4-amine is Cc1ccc2ncnc(NCc3cn(C)nc3-c3ccccc3)c2c1.
What is the InChIKey of 6-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]quinazolin-4-amine?
The InChIKey is NDKUGBBSZAOUFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5/c1-14-8-9-18-17(10-14)20(23-13-22-18)21-11-16-12-25(2)24-19(16)15-6-4-3-5-7-15/h3-10,12-13H,11H2,1-2H3,(H,21,22,23).
What are the key properties of 6-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]quinazolin-4-amine?
6-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]quinazolin-4-amine has a molecular weight of 329.41 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]quinazolin-4-amine is sourced from PubChem (CID 133449161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).