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

C14H13BrN4 — CID 110875185

IUPACN-(4-bromo-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc(Nc2ncnc3c2ccn3C)ccc1Br
InChIInChI=1S/C14H13BrN4/c1-9-7-10(3-4-12(9)15)18-13-11-5-6-19(2)14(11)17-8-16-13/h3-8H,1-2H3,(H,16,17,18)
InChIKeyLWGIZXSKSPPKKU-UHFFFAOYSA-N
MW317.19 g/mol
LogP3.78
Rot. Bonds2

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

N-(4-bromo-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110875185) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is N-(4-bromo-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromo-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110875185
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC NameN-(4-bromo-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cc(Nc2ncnc3c2ccn3C)ccc1Br
InChIInChI=1S/C14H13BrN4/c1-9-7-10(3-4-12(9)15)18-13-11-5-6-19(2)14(11)17-8-16-13/h3-8H,1-2H3,(H,16,17,18)
InChIKeyLWGIZXSKSPPKKU-UHFFFAOYSA-N
XLogP3.78
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875056
7-methyl-N-(4-propan-2-ylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875068
N-(4-chloro-2-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875091
N-(3-ethynylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 22460891
N-(4-bromo-3-methylphenyl)-3-ethyltriazolo[4,5-d]pyrimidin-7-amine
CID 7584515
N-(4-bromo-3-methylphenyl)-6-chloro-5-methylpyrimidin-4-amine
CID 55229097
N-(4-bromo-3-methylphenyl)-6-hydrazinyl-5-methylpyrimidin-4-amine
CID 80921046
N-(4-bromo-3-methylphenyl)-9-(2-methoxyethyl)purin-6-amine
CID 155799369
N-(4-bromo-3-methylphenyl)-5-iodopyrimidin-4-amine
CID 66340130
N-(2-chlorophenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875081
4-N-(4-bromo-3-methylphenyl)-6-N-methyl-5-nitropyrimidine-4,6-diamine
CID 80759625
N-(2-methoxyphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine
CID 110875105

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-bromo-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine (CID 110875185) is N-(4-bromo-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-bromo-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-bromo-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1cc(Nc2ncnc3c2ccn3C)ccc1Br.
What is the InChIKey of N-(4-bromo-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is LWGIZXSKSPPKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c1-9-7-10(3-4-12(9)15)18-13-11-5-6-19(2)14(11)17-8-16-13/h3-8H,1-2H3,(H,16,17,18).
What are the key properties of N-(4-bromo-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine?
N-(4-bromo-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 317.19 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylphenyl)-7-methylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110875185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).