N-methyl-N-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]quinazolin-4-amine

C21H19N5 — CID 134186489

IUPACN-methyl-N-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]quinazolin-4-amine
SMILESCc1ncc(Cc2ccc(N(C)c3ncnc4ccccc34)cc2)cn1
InChIInChI=1S/C21H19N5/c1-15-22-12-17(13-23-15)11-16-7-9-18(10-8-16)26(2)21-19-5-3-4-6-20(19)24-14-25-21/h3-10,12-14H,11H2,1-2H3
InChIKeyIQJGMHDZZFKMTM-UHFFFAOYSA-N
MW341.42 g/mol
LogP4.09
Rot. Bonds4

About N-methyl-N-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]quinazolin-4-amine

N-methyl-N-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]quinazolin-4-amine (PubChem CID 134186489) has the molecular formula C21H19N5 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-methyl-N-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]quinazolin-4-amine
PubChem CID134186489
Molecular FormulaC21H19N5
Molecular Weight341.42 g/mol
Exact Mass341.16
IUPAC NameN-methyl-N-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]quinazolin-4-amine
SMILESCc1ncc(Cc2ccc(N(C)c3ncnc4ccccc34)cc2)cn1
InChIInChI=1S/C21H19N5/c1-15-22-12-17(13-23-15)11-16-7-9-18(10-8-16)26(2)21-19-5-3-4-6-20(19)24-14-25-21/h3-10,12-14H,11H2,1-2H3
InChIKeyIQJGMHDZZFKMTM-UHFFFAOYSA-N
XLogP4.09
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,2-dimethyl-N-[4-[(5-methylpyrazin-2-yl)methyl]phenyl]quinazolin-4-amine
CID 134186511
2-hydroxy-1-[4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]phenyl]ethanone
CID 159797660
N,N-dimethylquinazolin-4-amine;hydrochloride
CID 174283261
N-hydroxy-4-[4-[methyl(quinazolin-4-yl)amino]phenoxy]benzamide
CID 122550258
methyl 6-[4-[methyl(quinazolin-4-yl)amino]phenoxy]pyridine-3-carboxylate
CID 122550232
N-[2-(4-methoxyphenyl)ethyl]-N-methylquinazolin-4-amine
CID 163348860
ethyl 2-[methyl(quinazolin-4-yl)amino]acetate
CID 62006339
N-methyl-N-[2-(2-methylphenoxy)ethyl]quinazolin-4-amine
CID 12797563
N,N-bis(2-methoxyethyl)quinazolin-4-amine
CID 21104388
6-iodo-N-methyl-N-(4-methylphenyl)quinazolin-4-amine
CID 168873008
4-N-methyl-4-N-(4-methylphenyl)quinazoline-4,6-diamine
CID 64587921
N-methyl-4-[[methyl(quinazolin-4-yl)amino]methyl]benzamide
CID 36790361

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]quinazolin-4-amine?
The IUPAC name of N-methyl-N-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]quinazolin-4-amine (CID 134186489) is N-methyl-N-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]quinazolin-4-amine.
What is the SMILES notation for N-methyl-N-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]quinazolin-4-amine?
The canonical SMILES for N-methyl-N-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]quinazolin-4-amine is Cc1ncc(Cc2ccc(N(C)c3ncnc4ccccc34)cc2)cn1.
What is the InChIKey of N-methyl-N-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]quinazolin-4-amine?
The InChIKey is IQJGMHDZZFKMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5/c1-15-22-12-17(13-23-15)11-16-7-9-18(10-8-16)26(2)21-19-5-3-4-6-20(19)24-14-25-21/h3-10,12-14H,11H2,1-2H3.
What are the key properties of N-methyl-N-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]quinazolin-4-amine?
N-methyl-N-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]quinazolin-4-amine has a molecular weight of 341.42 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-[(2-methylpyrimidin-5-yl)methyl]phenyl]quinazolin-4-amine is sourced from PubChem (CID 134186489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).