6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-amine

C19H17N3O — CID 11842801

IUPAC6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-amine
SMILESCc1ccc(C2CC(c3cc4ccccc4o3)=NC(N)=N2)cc1
InChIInChI=1S/C19H17N3O/c1-12-6-8-13(9-7-12)15-11-16(22-19(20)21-15)18-10-14-4-2-3-5-17(14)23-18/h2-10,15H,11H2,1H3,(H2,20,21)
InChIKeyRYXBZZTYVAWJFI-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.99
Rot. Bonds2

About 6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-amine

6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-amine (PubChem CID 11842801) has the molecular formula C19H17N3O and a molecular weight of 303.37 g/mol. Its IUPAC name is 6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-amine.

Molecular Properties

Compound Name6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-amine
PubChem CID11842801
Molecular FormulaC19H17N3O
Molecular Weight303.37 g/mol
Exact Mass303.14
IUPAC Name6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-amine
SMILESCc1ccc(C2CC(c3cc4ccccc4o3)=NC(N)=N2)cc1
InChIInChI=1S/C19H17N3O/c1-12-6-8-13(9-7-12)15-11-16(22-19(20)21-15)18-10-14-4-2-3-5-17(14)23-18/h2-10,15H,11H2,1H3,(H2,20,21)
InChIKeyRYXBZZTYVAWJFI-UHFFFAOYSA-N
XLogP3.99
TPSA63.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-yl]-2-piperazin-1-ylacetamide
CID 72546361
3-(1-benzofuran-2-yl)-5-(4-fluorophenyl)-4,5-dihydro-1,2-oxazole
CID 74538747
5-(1-benzofuran-2-yl)-2-methylpyridine
CID 146179500
2-[4-(3-methylphenyl)phenyl]-1-benzofuran
CID 132966930
2-(4-methylphenyl)sulfanyl-1-benzofuran
CID 132510325
2,5-bis(1-benzofuran-2-yl)-1,4-bis(4-methylphenyl)pyrrolo[3,2-b]pyrrole
CID 90119948
2-[4-(5,5,15,15,22,25,25-heptamethyl-8-heptacyclo[14.11.0.02,14.04,12.06,11.018,26.019,24]heptacosa-1(16),2(14),3,6(11),7,9,12,17,19(24),20,22,26-dodecaenyl)phenyl]-1-benzofuran
CID 59413380
2-(4-methoxyphenyl)-1-benzofuran
CID 10727834
4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]aniline
CID 43667812
2-[3,6-bis(1-benzofuran-2-yl)-8-(4-methylphenyl)pyren-1-yl]-1-benzofuran
CID 145470072
5-(1-benzofuran-2-yl)-2-methylbenzenethiol
CID 71213605
(1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 103832707

Frequently Asked Questions

What is the IUPAC name of 6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-amine?
The IUPAC name of 6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-amine (CID 11842801) is 6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-amine.
What is the SMILES notation for 6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-amine?
The canonical SMILES for 6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-amine is Cc1ccc(C2CC(c3cc4ccccc4o3)=NC(N)=N2)cc1.
What is the InChIKey of 6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-amine?
The InChIKey is RYXBZZTYVAWJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O/c1-12-6-8-13(9-7-12)15-11-16(22-19(20)21-15)18-10-14-4-2-3-5-17(14)23-18/h2-10,15H,11H2,1H3,(H2,20,21).
What are the key properties of 6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-amine?
6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-amine has a molecular weight of 303.37 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-benzofuran-2-yl)-4-(4-methylphenyl)-4,5-dihydropyrimidin-2-amine is sourced from PubChem (CID 11842801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).