N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine

C18H11Cl2N3O — CID 11494140

IUPACN-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine
SMILESClc1ccc(-c2cc3c(Nc4cccc(Cl)c4)ncnc3o2)cc1
InChIInChI=1S/C18H11Cl2N3O/c19-12-6-4-11(5-7-12)16-9-15-17(21-10-22-18(15)24-16)23-14-3-1-2-13(20)8-14/h1-10H,(H,21,22,23)
InChIKeyDTIXTWHWCYKQFE-UHFFFAOYSA-N
MW356.21 g/mol
LogP5.94
Rot. Bonds3

About N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine

N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine (PubChem CID 11494140) has the molecular formula C18H11Cl2N3O and a molecular weight of 356.21 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine
PubChem CID11494140
Molecular FormulaC18H11Cl2N3O
Molecular Weight356.21 g/mol
Exact Mass355.03
IUPAC NameN-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine
SMILESClc1ccc(-c2cc3c(Nc4cccc(Cl)c4)ncnc3o2)cc1
InChIInChI=1S/C18H11Cl2N3O/c19-12-6-4-11(5-7-12)16-9-15-17(21-10-22-18(15)24-16)23-14-3-1-2-13(20)8-14/h1-10H,(H,21,22,23)
InChIKeyDTIXTWHWCYKQFE-UHFFFAOYSA-N
XLogP5.94
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.21
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-methylphenyl)-N-phenylfuro[2,3-d]pyrimidin-4-amine
CID 11681004
7-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 1475054
5-[[6-(4-aminophenyl)furo[2,3-d]pyrimidin-4-yl]amino]-2-methylphenol
CID 10268481
8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride
CID 12806772
N-(3-chlorophenyl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20924668
6,8-dibromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 23941005
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
5-[[6-(3-aminophenyl)furo[2,3-d]pyrimidin-4-yl]amino]-2-methylphenol
CID 11370982
N-(3-chlorophenyl)-6-(6-chloro-3-pyridinyl)quinazolin-4-amine
CID 87720726
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
6-(1,3-benzodioxol-5-yl)-N-(3-chlorophenyl)quinazolin-4-amine
CID 69169474

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine (CID 11494140) is N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine is Clc1ccc(-c2cc3c(Nc4cccc(Cl)c4)ncnc3o2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine?
The InChIKey is DTIXTWHWCYKQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3O/c19-12-6-4-11(5-7-12)16-9-15-17(21-10-22-18(15)24-16)23-14-3-1-2-13(20)8-14/h1-10H,(H,21,22,23).
What are the key properties of N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine?
N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine has a molecular weight of 356.21 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11494140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).