N-[(1R)-1-phenylethyl]-6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C19H17N5 — CID 162647030

IUPACN-[(1R)-1-phenylethyl]-6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2[nH]c(-c3ccncc3)cc12)c1ccccc1
InChIInChI=1S/C19H17N5/c1-13(14-5-3-2-4-6-14)23-18-16-11-17(15-7-9-20-10-8-15)24-19(16)22-12-21-18/h2-13H,1H3,(H2,21,22,23,24)/t13-/m1/s1
InChIKeyPIKQXZXKAHGTFO-CYBMUJFWSA-N
MW315.38 g/mol
LogP4.19
Rot. Bonds4

About N-[(1R)-1-phenylethyl]-6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-[(1R)-1-phenylethyl]-6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 162647030) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID162647030
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC NameN-[(1R)-1-phenylethyl]-6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESC[C@@H](Nc1ncnc2[nH]c(-c3ccncc3)cc12)c1ccccc1
InChIInChI=1S/C19H17N5/c1-13(14-5-3-2-4-6-14)23-18-16-11-17(15-7-9-20-10-8-15)24-19(16)22-12-21-18/h2-13H,1H3,(H2,21,22,23,24)/t13-/m1/s1
InChIKeyPIKQXZXKAHGTFO-CYBMUJFWSA-N
XLogP4.19
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-phenylethyl]-6-pyridin-4-yl-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

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(1R)-1-phenylethyl]-6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 162647030) is N-[(1R)-1-phenylethyl]-6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(1R)-1-phenylethyl]-6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is C[C@@H](Nc1ncnc2[nH]c(-c3ccncc3)cc12)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PIKQXZXKAHGTFO-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H17N5/c1-13(14-5-3-2-4-6-14)23-18-16-11-17(15-7-9-20-10-8-15)24-19(16)22-12-21-18/h2-13H,1H3,(H2,21,22,23,24)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-[(1R)-1-phenylethyl]-6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 315.38 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-6-pyridin-4-yl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 162647030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).