N-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

C15H16N4 — CID 110875056

IUPACN-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1ccc(Nc2ncnc3c2ccn3C)cc1
InChIInChI=1S/C15H16N4/c1-3-11-4-6-12(7-5-11)18-14-13-8-9-19(2)15(13)17-10-16-14/h4-10H,3H2,1-2H3,(H,16,17,18)
InChIKeyBVPAILOVDALTNM-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.27
Rot. Bonds3

About N-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine

N-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110875056) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110875056
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC NameN-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1ccc(Nc2ncnc3c2ccn3C)cc1
InChIInChI=1S/C15H16N4/c1-3-11-4-6-12(7-5-11)18-14-13-8-9-19(2)15(13)17-10-16-14/h4-10H,3H2,1-2H3,(H,16,17,18)
InChIKeyBVPAILOVDALTNM-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875068
N-(4-bromo-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875185
N-(2-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875081
N-(3-ethynylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 22460891
4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22544339
5-ethyl-N-(4-ethylphenyl)-6-methylpyrimidin-4-amine
CID 13121249
N-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875105
6-chloro-N-(4-ethylphenyl)-5-propylpyrimidin-4-amine
CID 63735620
7-methyl-N-[(3-methylphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 110874931
N-(4-chloro-2-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875091
4-N-(4-butoxyphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544296
6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine
CID 22544389

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (CID 110875056) is N-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is CCc1ccc(Nc2ncnc3c2ccn3C)cc1.
What is the InChIKey of N-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is BVPAILOVDALTNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-3-11-4-6-12(7-5-11)18-14-13-8-9-19(2)15(13)17-10-16-14/h4-10H,3H2,1-2H3,(H,16,17,18).
What are the key properties of N-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
N-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 252.32 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110875056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).