6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenyl-N-(2-phenylethyl)pyrimidin-4-amine

C29H23FN4 — CID 3472012

IUPAC6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenyl-N-(2-phenylethyl)pyrimidin-4-amine
SMILESFc1ccc(-c2cncc(-c3cc(NCCc4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C29H23FN4/c30-26-13-11-22(12-14-26)24-17-25(20-31-19-24)27-18-28(32-16-15-21-7-3-1-4-8-21)34-29(33-27)23-9-5-2-6-10-23/h1-14,17-20H,15-16H2,(H,32,33,34)
InChIKeyFGJWAXWZZXYTSJ-UHFFFAOYSA-N
MW446.53 g/mol
LogP6.67
Rot. Bonds7

About 6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenyl-N-(2-phenylethyl)pyrimidin-4-amine

6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenyl-N-(2-phenylethyl)pyrimidin-4-amine (PubChem CID 3472012) has the molecular formula C29H23FN4 and a molecular weight of 446.53 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenyl-N-(2-phenylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenyl-N-(2-phenylethyl)pyrimidin-4-amine
PubChem CID3472012
Molecular FormulaC29H23FN4
Molecular Weight446.53 g/mol
Exact Mass446.19
IUPAC Name6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenyl-N-(2-phenylethyl)pyrimidin-4-amine
SMILESFc1ccc(-c2cncc(-c3cc(NCCc4ccccc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C29H23FN4/c30-26-13-11-22(12-14-26)24-17-25(20-31-19-24)27-18-28(32-16-15-21-7-3-1-4-8-21)34-29(33-27)23-9-5-2-6-10-23/h1-14,17-20H,15-16H2,(H,32,33,34)
InChIKeyFGJWAXWZZXYTSJ-UHFFFAOYSA-N
XLogP6.67
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.53
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(4-fluorophenyl)ethyl]-2-phenyl-6-N-propylpyrimidine-4,6-diamine
CID 112879209
N-benzyl-2-phenyl-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine
CID 3507207
6-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-methoxyethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880259
4-N-[2-(4-fluorophenyl)ethyl]-6-N-(3-methoxypropyl)-2-phenylpyrimidine-4,6-diamine
CID 112880403
2-phenyl-N-(pyridin-3-ylmethyl)-6-[5-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]pyrimidin-4-amine
CID 4602862
N-(furan-2-ylmethyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 4099468
N-cyclopropyl-6-[2-(4-fluorophenyl)ethylamino]-2-phenylpyrimidine-4-carboxamide
CID 112851870
N-(3-imidazol-1-ylpropyl)-2-phenyl-6-(5-phenyl-3-pyridinyl)pyrimidin-4-amine
CID 3610950
6-[2-(4-fluorophenyl)ethylamino]-N-(2-methoxyethyl)-2-phenylpyrimidine-4-carboxamide
CID 112853219
6-methyl-2-phenyl-N-(2-pyridin-4-ylethyl)pyrimidin-4-amine
CID 50957101
6-[5-(4-methylphenyl)-3-pyridinyl]-N-(3-morpholin-4-ylpropyl)-2-phenylpyrimidin-4-amine
CID 3599041
6-N-(3-methoxypropyl)-2-phenyl-4-N-(2-phenylethyl)pyrimidine-4,6-diamine
CID 112880400

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenyl-N-(2-phenylethyl)pyrimidin-4-amine?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenyl-N-(2-phenylethyl)pyrimidin-4-amine (CID 3472012) is 6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenyl-N-(2-phenylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenyl-N-(2-phenylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenyl-N-(2-phenylethyl)pyrimidin-4-amine is Fc1ccc(-c2cncc(-c3cc(NCCc4ccccc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenyl-N-(2-phenylethyl)pyrimidin-4-amine?
The InChIKey is FGJWAXWZZXYTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23FN4/c30-26-13-11-22(12-14-26)24-17-25(20-31-19-24)27-18-28(32-16-15-21-7-3-1-4-8-21)34-29(33-27)23-9-5-2-6-10-23/h1-14,17-20H,15-16H2,(H,32,33,34).
What are the key properties of 6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenyl-N-(2-phenylethyl)pyrimidin-4-amine?
6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenyl-N-(2-phenylethyl)pyrimidin-4-amine has a molecular weight of 446.53 g/mol, XLogP of 6.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-3-pyridinyl]-2-phenyl-N-(2-phenylethyl)pyrimidin-4-amine is sourced from PubChem (CID 3472012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).