4-[4-(1,3-benzodioxol-5-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine

C19H15N5O2 — CID 166628955

IUPAC4-[4-(1,3-benzodioxol-5-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine
SMILESCc1nc(-c2ccc3c(c2)OCO3)c2c(-c3ccnc(N)c3)c[nH]c2n1
InChIInChI=1S/C19H15N5O2/c1-10-23-18(12-2-3-14-15(6-12)26-9-25-14)17-13(8-22-19(17)24-10)11-4-5-21-16(20)7-11/h2-8H,9H2,1H3,(H2,20,21)(H,22,23,24)
InChIKeyCEFPPDKMUCDGCU-UHFFFAOYSA-N
MW345.36 g/mol
LogP3.31
Rot. Bonds2

About 4-[4-(1,3-benzodioxol-5-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine

4-[4-(1,3-benzodioxol-5-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine (PubChem CID 166628955) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 4-[4-(1,3-benzodioxol-5-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[4-(1,3-benzodioxol-5-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine
PubChem CID166628955
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name4-[4-(1,3-benzodioxol-5-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine
SMILESCc1nc(-c2ccc3c(c2)OCO3)c2c(-c3ccnc(N)c3)c[nH]c2n1
InChIInChI=1S/C19H15N5O2/c1-10-23-18(12-2-3-14-15(6-12)26-9-25-14)17-13(8-22-19(17)24-10)11-4-5-21-16(20)7-11/h2-8H,9H2,1H3,(H2,20,21)(H,22,23,24)
InChIKeyCEFPPDKMUCDGCU-UHFFFAOYSA-N
XLogP3.31
TPSA98.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[4-(1,3-benzodioxol-5-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N4-(1,3-Benzodioxol-5-ylmethyl)-6-(3-methoxyphenyl)-2,4-pyrimidinediamine
CID 11210285
Meriolin 3
CID 23727981
6-(3,4-dimethoxyphenyl)-7-methyl-5H-pyrrolo[2,3-b]pyrazine
CID 6538783
Rwj-68354
CID 9819053
SB-505124
CID 9858940
5-[5-(3,4,5-trimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-1H-indole
CID 46236221
2-(1H-indol-4-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 122195227
2-(1H-indol-6-yl)-4-(3,4,5-trimethoxyphenyl)-1H-imidazo[4,5-c]pyridine
CID 122195228
Ret-IN-3
CID 146018674
2-(1,3-benzodioxol-5-yl)-N-(3-pyridinylmethyl)-4-pyrimidinamine
CID 3234998
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234673
7-(1,3-Benzodioxol-5-ylmethyl)pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 44531722

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,3-benzodioxol-5-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine?
The IUPAC name of 4-[4-(1,3-benzodioxol-5-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine (CID 166628955) is 4-[4-(1,3-benzodioxol-5-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine.
What is the SMILES notation for 4-[4-(1,3-benzodioxol-5-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine?
The canonical SMILES for 4-[4-(1,3-benzodioxol-5-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine is Cc1nc(-c2ccc3c(c2)OCO3)c2c(-c3ccnc(N)c3)c[nH]c2n1.
What is the InChIKey of 4-[4-(1,3-benzodioxol-5-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine?
The InChIKey is CEFPPDKMUCDGCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-10-23-18(12-2-3-14-15(6-12)26-9-25-14)17-13(8-22-19(17)24-10)11-4-5-21-16(20)7-11/h2-8H,9H2,1H3,(H2,20,21)(H,22,23,24).
What are the key properties of 4-[4-(1,3-benzodioxol-5-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine?
4-[4-(1,3-benzodioxol-5-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine has a molecular weight of 345.36 g/mol, XLogP of 3.31, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,3-benzodioxol-5-yl)-2-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl]pyridin-2-amine is sourced from PubChem (CID 166628955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).