4-(2,4-dichlorophenyl)-6-(furan-3-yl)pyrimidin-2-amine

C14H9Cl2N3O — CID 126962328

IUPAC4-(2,4-dichlorophenyl)-6-(furan-3-yl)pyrimidin-2-amine
SMILESNc1nc(-c2ccoc2)cc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H9Cl2N3O/c15-9-1-2-10(11(16)5-9)13-6-12(18-14(17)19-13)8-3-4-20-7-8/h1-7H,(H2,17,18,19)
InChIKeyNUYDEJDNIIVSGS-UHFFFAOYSA-N
MW306.15 g/mol
LogP4.29
Rot. Bonds2

About 4-(2,4-dichlorophenyl)-6-(furan-3-yl)pyrimidin-2-amine

4-(2,4-dichlorophenyl)-6-(furan-3-yl)pyrimidin-2-amine (PubChem CID 126962328) has the molecular formula C14H9Cl2N3O and a molecular weight of 306.15 g/mol. Its IUPAC name is 4-(2,4-dichlorophenyl)-6-(furan-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,4-dichlorophenyl)-6-(furan-3-yl)pyrimidin-2-amine
PubChem CID126962328
Molecular FormulaC14H9Cl2N3O
Molecular Weight306.15 g/mol
Exact Mass305.01
IUPAC Name4-(2,4-dichlorophenyl)-6-(furan-3-yl)pyrimidin-2-amine
SMILESNc1nc(-c2ccoc2)cc(-c2ccc(Cl)cc2Cl)n1
InChIInChI=1S/C14H9Cl2N3O/c15-9-1-2-10(11(16)5-9)13-6-12(18-14(17)19-13)8-3-4-20-7-8/h1-7H,(H2,17,18,19)
InChIKeyNUYDEJDNIIVSGS-UHFFFAOYSA-N
XLogP4.29
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dichlorophenyl)-6-(furan-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(2,4-dichlorophenyl)-6-(furan-3-yl)pyrimidin-2-amine (CID 126962328) is 4-(2,4-dichlorophenyl)-6-(furan-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,4-dichlorophenyl)-6-(furan-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,4-dichlorophenyl)-6-(furan-3-yl)pyrimidin-2-amine is Nc1nc(-c2ccoc2)cc(-c2ccc(Cl)cc2Cl)n1.
What is the InChIKey of 4-(2,4-dichlorophenyl)-6-(furan-3-yl)pyrimidin-2-amine?
The InChIKey is NUYDEJDNIIVSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N3O/c15-9-1-2-10(11(16)5-9)13-6-12(18-14(17)19-13)8-3-4-20-7-8/h1-7H,(H2,17,18,19).
What are the key properties of 4-(2,4-dichlorophenyl)-6-(furan-3-yl)pyrimidin-2-amine?
4-(2,4-dichlorophenyl)-6-(furan-3-yl)pyrimidin-2-amine has a molecular weight of 306.15 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dichlorophenyl)-6-(furan-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 126962328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).