N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

C18H15N5O — CID 11278547

IUPACN-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1
InChIInChI=1S/C18H15N5O/c1-24-15-7-3-2-6-14(15)21-18-20-12-13-9-11-23(17(13)22-18)16-8-4-5-10-19-16/h2-12H,1H3,(H,20,21,22)
InChIKeyMCHZVJWHJZVLBG-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.57
Rot. Bonds4

About N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 11278547) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID11278547
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC NameN-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCOc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1
InChIInChI=1S/C18H15N5O/c1-24-15-7-3-2-6-14(15)21-18-20-12-13-9-11-23(17(13)22-18)16-8-4-5-10-19-16/h2-12H,1H3,(H,20,21,22)
InChIKeyMCHZVJWHJZVLBG-UHFFFAOYSA-N
XLogP3.57
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-Pyridin-2-YL-N-(3,4,5-trimethoxyphenyl)-7H-pyrrolo(2,3-D)pyrimidin-2-amine
CID 11957393
Meriolin 3
CID 23727981
Vuf5574
CID 4046493
4-N-(4-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328062
2-Pyrimidinamine, N-(2-methoxyphenyl)-4-(2-phenyl-1H-imidazol-1-yl)-
CID 5329418
2,4-Disubstituted Pyrimidine 2g
CID 5329420
N-(3-methoxyphenyl)-1-methyl-6-morpholino-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456450
N-(3-methoxyphenyl)-1-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 16456451
7-(3-methoxyphenyl)-N-[4-(4-methylpiperazin-1-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-2-amine
CID 23646630
N2-(2-(1H-Pyrrolo[2,3-b]pyridin-3-yl)ethyl)-N4-butyl-N6-(2-methoxyphenethyl)-N4-methyl-1,3,5-triazine-2,4,6-triamine
CID 24767906
Bisanilinopyrimidine, 6f
CID 70702137
AZ191
CID 72716071

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (CID 11278547) is N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is COc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1.
What is the InChIKey of N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is MCHZVJWHJZVLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-24-15-7-3-2-6-14(15)21-18-20-12-13-9-11-23(17(13)22-18)16-8-4-5-10-19-16/h2-12H,1H3,(H,20,21,22).
What are the key properties of N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 317.35 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 11278547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).