N-[(2,5-dichlorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine

C19H15Cl2N5 — CID 24951411

IUPACN-[(2,5-dichlorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESClc1ccc(Cl)c(CNc2ncc(Cc3c[nH]c4ncccc34)cn2)c1
InChIInChI=1S/C19H15Cl2N5/c20-15-3-4-17(21)14(7-15)11-26-19-24-8-12(9-25-19)6-13-10-23-18-16(13)2-1-5-22-18/h1-5,7-10H,6,11H2,(H,22,23)(H,24,25,26)
InChIKeyQSJOFKGMXQQSNO-UHFFFAOYSA-N
MW384.27 g/mol
LogP4.86
Rot. Bonds5

About N-[(2,5-dichlorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine

N-[(2,5-dichlorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine (PubChem CID 24951411) has the molecular formula C19H15Cl2N5 and a molecular weight of 384.27 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine
PubChem CID24951411
Molecular FormulaC19H15Cl2N5
Molecular Weight384.27 g/mol
Exact Mass383.07
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESClc1ccc(Cl)c(CNc2ncc(Cc3c[nH]c4ncccc34)cn2)c1
InChIInChI=1S/C19H15Cl2N5/c20-15-3-4-17(21)14(7-15)11-26-19-24-8-12(9-25-19)6-13-10-23-18-16(13)2-1-5-22-18/h1-5,7-10H,6,11H2,(H,22,23)(H,24,25,26)
InChIKeyQSJOFKGMXQQSNO-UHFFFAOYSA-N
XLogP4.86
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine
CID 24951407
N-[(2-chloro-4-fluorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine
CID 25024887
2,5-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66415020
4-chloro-2-methyl-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66416780
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-1H-pyrrolo[2,3-b]pyridine
CID 12037446
2,6-dichloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66416280
3,5-dichloro-4-fluoro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 107572383
1-(3,4-dichlorophenyl)-2-[5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2-pyridinyl]ethanone
CID 58442266
4-bromo-2-chloro-N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 66415619
3-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)aniline
CID 59362788
3-[(3-methylphenyl)methyl]-1H-pyrrolo[2,3-b]pyridine
CID 58086816
N-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-5-amine
CID 107587617

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine (CID 24951411) is N-[(2,5-dichlorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine is Clc1ccc(Cl)c(CNc2ncc(Cc3c[nH]c4ncccc34)cn2)c1.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is QSJOFKGMXQQSNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2N5/c20-15-3-4-17(21)14(7-15)11-26-19-24-8-12(9-25-19)6-13-10-23-18-16(13)2-1-5-22-18/h1-5,7-10H,6,11H2,(H,22,23)(H,24,25,26).
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine?
N-[(2,5-dichlorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 384.27 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 24951411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).