N-(3,4-dichlorophenyl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine

C17H10Cl2N4O — CID 58826816

IUPACN-(3,4-dichlorophenyl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine
SMILESClc1ccc(Nc2c(-c3ncccn3)oc3cnccc23)cc1Cl
InChIInChI=1S/C17H10Cl2N4O/c18-12-3-2-10(8-13(12)19)23-15-11-4-7-20-9-14(11)24-16(15)17-21-5-1-6-22-17/h1-9,23H
InChIKeyTZIBLWLBOZJSDP-UHFFFAOYSA-N
MW357.20 g/mol
LogP5.34
Rot. Bonds3

About N-(3,4-dichlorophenyl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine

N-(3,4-dichlorophenyl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine (PubChem CID 58826816) has the molecular formula C17H10Cl2N4O and a molecular weight of 357.20 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine
PubChem CID58826816
Molecular FormulaC17H10Cl2N4O
Molecular Weight357.20 g/mol
Exact Mass356.02
IUPAC NameN-(3,4-dichlorophenyl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine
SMILESClc1ccc(Nc2c(-c3ncccn3)oc3cnccc23)cc1Cl
InChIInChI=1S/C17H10Cl2N4O/c18-12-3-2-10(8-13(12)19)23-15-11-4-7-20-9-14(11)24-16(15)17-21-5-1-6-22-17/h1-9,23H
InChIKeyTZIBLWLBOZJSDP-UHFFFAOYSA-N
XLogP5.34
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.20
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine?
The IUPAC name of N-(3,4-dichlorophenyl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine (CID 58826816) is N-(3,4-dichlorophenyl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine is Clc1ccc(Nc2c(-c3ncccn3)oc3cnccc23)cc1Cl.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine?
The InChIKey is TZIBLWLBOZJSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl2N4O/c18-12-3-2-10(8-13(12)19)23-15-11-4-7-20-9-14(11)24-16(15)17-21-5-1-6-22-17/h1-9,23H.
What are the key properties of N-(3,4-dichlorophenyl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine?
N-(3,4-dichlorophenyl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine has a molecular weight of 357.20 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-pyrimidin-2-ylfuro[2,3-c]pyridin-3-amine is sourced from PubChem (CID 58826816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).