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

C15H16N4 — CID 110874931

IUPAC7-methyl-N-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(CNc2ncnc3c2ccn3C)c1
InChIInChI=1S/C15H16N4/c1-11-4-3-5-12(8-11)9-16-14-13-6-7-19(2)15(13)18-10-17-14/h3-8,10H,9H2,1-2H3,(H,16,17,18)
InChIKeyPCFIHMJYQMGEQN-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.89
Rot. Bonds3

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

7-methyl-N-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110874931) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 7-methyl-N-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-methyl-N-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110874931
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name7-methyl-N-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(CNc2ncnc3c2ccn3C)c1
InChIInChI=1S/C15H16N4/c1-11-4-3-5-12(8-11)9-16-14-13-6-7-19(2)15(13)18-10-17-14/h3-8,10H,9H2,1-2H3,(H,16,17,18)
InChIKeyPCFIHMJYQMGEQN-UHFFFAOYSA-N
XLogP2.89
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110874951
6-N,5-diethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791987
N-[(3-chlorophenyl)methyl]-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 866423
7-(3,4-difluorophenyl)-5,6-dimethyl-N-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 46290389
6-N-methyl-4-N-[(3-methylphenyl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80790328
[3-[[(9-methylpurin-6-yl)amino]methyl]phenyl]methanol
CID 154735606
4-[[[1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]methyl]benzene-1,2-diol
CID 70986581
6-hydrazinyl-N-[(3-methylphenyl)methyl]-5-nitropyrimidin-4-amine
CID 80899344
6-N-methyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791292
6-N-ethyl-4-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80791044
N-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875056
7-methyl-6-(4-methylphenyl)-N-[(4-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 143080870

Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-methyl-N-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine (CID 110874931) is 7-methyl-N-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-methyl-N-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-methyl-N-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cccc(CNc2ncnc3c2ccn3C)c1.
What is the InChIKey of 7-methyl-N-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PCFIHMJYQMGEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11-4-3-5-12(8-11)9-16-14-13-6-7-19(2)15(13)18-10-17-14/h3-8,10H,9H2,1-2H3,(H,16,17,18).
What are the key properties of 7-methyl-N-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine?
7-methyl-N-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 252.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110874931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).