4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine

C15H12ClN3O — CID 75359758

IUPAC4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine
SMILESCc1ccc(-c2cc(-c3cccc(Cl)c3)nc(N)n2)o1
InChIInChI=1S/C15H12ClN3O/c1-9-5-6-14(20-9)13-8-12(18-15(17)19-13)10-3-2-4-11(16)7-10/h2-8H,1H3,(H2,17,18,19)
InChIKeyPBBPDCBPFABILG-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.95
Rot. Bonds2

About 4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine

4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine (PubChem CID 75359758) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine
PubChem CID75359758
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine
SMILESCc1ccc(-c2cc(-c3cccc(Cl)c3)nc(N)n2)o1
InChIInChI=1S/C15H12ClN3O/c1-9-5-6-14(20-9)13-8-12(18-15(17)19-13)10-3-2-4-11(16)7-10/h2-8H,1H3,(H2,17,18,19)
InChIKeyPBBPDCBPFABILG-UHFFFAOYSA-N
XLogP3.95
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5-bromofuran-2-yl)-8-chloro-5H-indeno[1,2-d]pyrimidin-2-amine
CID 44389614
2-amino-4-(5-chlorofuran-2-yl)-5H-indeno[1,2-d]pyrimidin-5-one
CID 46888889
2-Amino-4-(4-chlorophenyl)-6-(5-methylfuran-2-yl)pyridine-3-carbonitrile
CID 658940
2-Amino-4-furan-2-yl-6-phenyl-pyrimidine-5-carbonitrile
CID 9813876
2-amino-N-(2-chlorobenzyl)-6-(furan-2-yl)pyrimidine-4-carboxamide
CID 45267990
2-amino-N-(3-chlorobenzyl)-6-(furan-2-yl)pyrimidine-4-carboxamide
CID 45268869
2-amino-N-(4-chlorobenzyl)-6-(furan-2-yl)pyrimidine-4-carboxamide
CID 45271366
N-benzyl-4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 3242070
[4-(2-Furyl)-6-(trifluoromethyl)pyrimidin-2-yl](2-phenylethyl)amine
CID 4306095
2-Amino-4-(4-chloro-phenyl)-6-furan-2-yl-nicotinonitrile
CID 24950372
8-methyl-4-(5-methylfuran-2-yl)-5H-indeno[1,2-d]pyrimidin-2-amine
CID 44389579
2-Amino-4-(2-furyl)quinazoline
CID 66520456

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine (CID 75359758) is 4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine is Cc1ccc(-c2cc(-c3cccc(Cl)c3)nc(N)n2)o1.
What is the InChIKey of 4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine?
The InChIKey is PBBPDCBPFABILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-5-6-14(20-9)13-8-12(18-15(17)19-13)10-3-2-4-11(16)7-10/h2-8H,1H3,(H2,17,18,19).
What are the key properties of 4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine?
4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine has a molecular weight of 285.73 g/mol, XLogP of 3.95, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-(5-methylfuran-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 75359758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).