N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C16H18N4O2 — CID 146142781

IUPACN-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc([C@@H](C)Nc2ncnc3[nH]ccc23)c(OC)c1
InChIInChI=1S/C16H18N4O2/c1-10(12-5-4-11(21-2)8-14(12)22-3)20-16-13-6-7-17-15(13)18-9-19-16/h4-10H,1-3H3,(H2,17,18,19,20)/t10-/m1/s1
InChIKeyIMROBASPHJGVHN-SNVBAGLBSA-N
MW298.35 g/mol
LogP3.15
Rot. Bonds5

About N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 146142781) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID146142781
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc([C@@H](C)Nc2ncnc3[nH]ccc23)c(OC)c1
InChIInChI=1S/C16H18N4O2/c1-10(12-5-4-11(21-2)8-14(12)22-3)20-16-13-6-7-17-15(13)18-9-19-16/h4-10H,1-3H3,(H2,17,18,19,20)/t10-/m1/s1
InChIKeyIMROBASPHJGVHN-SNVBAGLBSA-N
XLogP3.15
TPSA72.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-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

(1S)-1-(2,4-dimethoxyphenyl)-N-methylethanamine
CID 15255377
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607
N-(5-chloro-2-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69190382
4-bromo-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43194565
N-[1-(2,4-dimethoxyphenyl)ethyl]cyclohexanamine
CID 43189974
N-[1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 42926398
N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]thieno[3,2-d]pyrimidin-4-amine
CID 35790358
1-(2,4-dimethoxyphenyl)-N-[(2-methylpropan-2-yl)oxy]ethanamine
CID 82720480
(1R)-N-[1-(2,4-dimethoxyphenyl)ethyl]-1-phenylethanamine
CID 81350448
N-[1-(2,4-dimethoxyphenyl)ethyl]-2,2-difluoroethanamine
CID 113303579
6-N-(2,4-dimethoxyphenyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19142840
2-chloro-N-[1-(2,4-dimethoxyphenyl)ethyl]aniline
CID 43194738

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 146142781) is N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1ccc([C@@H](C)Nc2ncnc3[nH]ccc23)c(OC)c1.
What is the InChIKey of N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is IMROBASPHJGVHN-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10(12-5-4-11(21-2)8-14(12)22-3)20-16-13-6-7-17-15(13)18-9-19-16/h4-10H,1-3H3,(H2,17,18,19,20)/t10-/m1/s1.
What are the key properties of N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 298.35 g/mol, XLogP of 3.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2,4-dimethoxyphenyl)ethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 146142781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).