7-methyl-6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine

C22H22N4 — CID 143080870

IUPAC7-methyl-6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(CNc2ncnc3c2cc(-c2ccc(C)cc2)n3C)cc1
InChIInChI=1S/C22H22N4/c1-15-4-8-17(9-5-15)13-23-21-19-12-20(18-10-6-16(2)7-11-18)26(3)22(19)25-14-24-21/h4-12,14H,13H2,1-3H3,(H,23,24,25)
InChIKeyRITJYBIRHWNSMT-UHFFFAOYSA-N
MW342.45 g/mol
LogP4.86
Rot. Bonds4

About 7-methyl-6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine

7-methyl-6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 143080870) has the molecular formula C22H22N4 and a molecular weight of 342.45 g/mol. Its IUPAC name is 7-methyl-6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID143080870
Molecular FormulaC22H22N4
Molecular Weight342.45 g/mol
Exact Mass342.18
IUPAC Name7-methyl-6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(CNc2ncnc3c2cc(-c2ccc(C)cc2)n3C)cc1
InChIInChI=1S/C22H22N4/c1-15-4-8-17(9-5-15)13-23-21-19-12-20(18-10-6-16(2)7-11-18)26(3)22(19)25-14-24-21/h4-12,14H,13H2,1-3H3,(H,23,24,25)
InChIKeyRITJYBIRHWNSMT-UHFFFAOYSA-N
XLogP4.86
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.45
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-dimethyl-2-(7-methyl-6-phenylpyrrolo[2,3-d]pyrimidin-4-yl)hydrazine
CID 122208510
1-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 7205340
9-ethyl-N-[(4-methylphenyl)methyl]purin-6-amine
CID 163348607
7-methyl-N-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 110874931
N-benzyl-9-[6-[(4-methylphenyl)methylamino]purin-9-yl]purin-6-amine
CID 66780721
4,7-dimethyl-6-phenylpyrrolo[2,3-d]pyrimidine
CID 144850967
3-methyl-N-(pyridin-4-ylmethyl)triazolo[4,5-d]pyrimidin-7-amine
CID 40532076
1-methyl-5-(4-methylphenyl)-N-[(4-methylphenyl)methyl]imidazol-2-amine;oxalic acid
CID 163327528
6-(5-methyl-2-pyridinyl)-N-[(6-methyl-3-pyridinyl)methyl]quinazolin-4-amine
CID 155340173
1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 17017675
5-(3,4-dichlorophenyl)-1-methyl-N-[(4-methylphenyl)methyl]imidazol-2-amine
CID 3893027
7-methyl-N-[(4-methylphenyl)methyl]thieno[3,2-d]pyrimidin-4-amine
CID 102686243

Frequently Asked Questions

What is the IUPAC name of 7-methyl-6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 143080870) is 7-methyl-6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc(CNc2ncnc3c2cc(-c2ccc(C)cc2)n3C)cc1.
What is the InChIKey of 7-methyl-6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is RITJYBIRHWNSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4/c1-15-4-8-17(9-5-15)13-23-21-19-12-20(18-10-6-16(2)7-11-18)26(3)22(19)25-14-24-21/h4-12,14H,13H2,1-3H3,(H,23,24,25).
What are the key properties of 7-methyl-6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
7-methyl-6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 342.45 g/mol, XLogP of 4.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 143080870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).