N-[4-[2-(diethylamino)ethyl]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

C23H26N6 — CID 56663293

IUPACN-[4-[2-(diethylamino)ethyl]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESCCN(CC)CCc1ccc(Nc2nccc(-c3c[nH]c4ncccc34)n2)cc1
InChIInChI=1S/C23H26N6/c1-3-29(4-2)15-12-17-7-9-18(10-8-17)27-23-25-14-11-21(28-23)20-16-26-22-19(20)6-5-13-24-22/h5-11,13-14,16H,3-4,12,15H2,1-2H3,(H,24,26)(H,25,27,28)
InChIKeyKQLWJDSPTRBDNF-UHFFFAOYSA-N
MW386.50 g/mol
LogP4.65
Rot. Bonds8

About N-[4-[2-(diethylamino)ethyl]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine

N-[4-[2-(diethylamino)ethyl]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 56663293) has the molecular formula C23H26N6 and a molecular weight of 386.50 g/mol. Its IUPAC name is N-[4-[2-(diethylamino)ethyl]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[2-(diethylamino)ethyl]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
PubChem CID56663293
Molecular FormulaC23H26N6
Molecular Weight386.50 g/mol
Exact Mass386.22
IUPAC NameN-[4-[2-(diethylamino)ethyl]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine
SMILESCCN(CC)CCc1ccc(Nc2nccc(-c3c[nH]c4ncccc34)n2)cc1
InChIInChI=1S/C23H26N6/c1-3-29(4-2)15-12-17-7-9-18(10-8-17)27-23-25-14-11-21(28-23)20-16-26-22-19(20)6-5-13-24-22/h5-11,13-14,16H,3-4,12,15H2,1-2H3,(H,24,26)(H,25,27,28)
InChIKeyKQLWJDSPTRBDNF-UHFFFAOYSA-N
XLogP4.65
TPSA69.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-[2-(diethylamino)ethyl]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-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

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(diethylamino)ethyl]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of N-[4-[2-(diethylamino)ethyl]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine (CID 56663293) is N-[4-[2-(diethylamino)ethyl]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for N-[4-[2-(diethylamino)ethyl]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for N-[4-[2-(diethylamino)ethyl]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is CCN(CC)CCc1ccc(Nc2nccc(-c3c[nH]c4ncccc34)n2)cc1.
What is the InChIKey of N-[4-[2-(diethylamino)ethyl]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is KQLWJDSPTRBDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6/c1-3-29(4-2)15-12-17-7-9-18(10-8-17)27-23-25-14-11-21(28-23)20-16-26-22-19(20)6-5-13-24-22/h5-11,13-14,16H,3-4,12,15H2,1-2H3,(H,24,26)(H,25,27,28).
What are the key properties of N-[4-[2-(diethylamino)ethyl]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine?
N-[4-[2-(diethylamino)ethyl]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 386.50 g/mol, XLogP of 4.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(diethylamino)ethyl]phenyl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 56663293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).