4,6,7-trimethyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine

C22H21N5 — CID 631996

IUPAC4,6,7-trimethyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine
SMILESCc1cc(-c2ccccc2)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)n1
InChIInChI=1S/C22H21N5/c1-13-10-18-16(4)24-22(26-20(18)11-14(13)2)27-21-23-15(3)12-19(25-21)17-8-6-5-7-9-17/h5-12H,1-4H3,(H,23,24,25,26,27)
InChIKeyMQMMRYQWZWEAAW-UHFFFAOYSA-N
MW355.45 g/mol
LogP5.06
Rot. Bonds3

About 4,6,7-trimethyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine

4,6,7-trimethyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine (PubChem CID 631996) has the molecular formula C22H21N5 and a molecular weight of 355.45 g/mol. Its IUPAC name is 4,6,7-trimethyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine.

Molecular Properties

Compound Name4,6,7-trimethyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine
PubChem CID631996
Molecular FormulaC22H21N5
Molecular Weight355.45 g/mol
Exact Mass355.18
IUPAC Name4,6,7-trimethyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine
SMILESCc1cc(-c2ccccc2)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)n1
InChIInChI=1S/C22H21N5/c1-13-10-18-16(4)24-22(26-20(18)11-14(13)2)27-21-23-15(3)12-19(25-21)17-8-6-5-7-9-17/h5-12H,1-4H3,(H,23,24,25,26,27)
InChIKeyMQMMRYQWZWEAAW-UHFFFAOYSA-N
XLogP5.06
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.45
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Fatty acids, C16-18, sulfo, 1-Me esters, sodium salts
CID 53346507
1-(4-Methylquinazolin-2-yl)guanidine
CID 345657
N-(4,8-dimethylquinazolin-2-yl)guanidine
CID 2849032
Quinazoline, 2,4-diamino-5-methyl-(7CI,8CI)
CID 198062
2,4,7,9-Tetramethylbenzo[b][1,8]naphthyridin-5-amine
CID 765471
4-Phenyl-2-(piperazin-1-yl)quinazoline
CID 3763388
4-Methyl-2-quinazolinamine
CID 269325
1-{(E)-amino[(4,6-dimethylquinazolin-2-yl)amino]methylidene}-3-cyclohexylurea
CID 135543905
4,6,8-trimethyl-N-(4,4,6-trimethyl-1,4-dihydropyrimidin-2-yl)quinazolin-2-amine
CID 777317
N~2~-(3,4-dimethylphenyl)-2,4-quinazolinediamine hydrochloride
CID 2975866
6-(3-aminophenyl)-N-tert-butyl-2-(trifluoromethyl)quinazolin-4-amine
CID 5288016
5-Methyl-6-phenylquinazoline-2,4-diamine
CID 25271556

Frequently Asked Questions

What is the IUPAC name of 4,6,7-trimethyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine?
The IUPAC name of 4,6,7-trimethyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine (CID 631996) is 4,6,7-trimethyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine.
What is the SMILES notation for 4,6,7-trimethyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine?
The canonical SMILES for 4,6,7-trimethyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine is Cc1cc(-c2ccccc2)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)n1.
What is the InChIKey of 4,6,7-trimethyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine?
The InChIKey is MQMMRYQWZWEAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5/c1-13-10-18-16(4)24-22(26-20(18)11-14(13)2)27-21-23-15(3)12-19(25-21)17-8-6-5-7-9-17/h5-12H,1-4H3,(H,23,24,25,26,27).
What are the key properties of 4,6,7-trimethyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine?
4,6,7-trimethyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine has a molecular weight of 355.45 g/mol, XLogP of 5.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trimethyl-N-(4-methyl-6-phenylpyrimidin-2-yl)quinazolin-2-amine is sourced from PubChem (CID 631996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).