2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide

C23H25FN4O — CID 109330702

IUPAC2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(C)C)nc(NCCc2ccccc2F)n1
InChIInChI=1S/C23H25FN4O/c1-15(2)18-9-5-7-11-20(18)27-22(29)21-14-16(3)26-23(28-21)25-13-12-17-8-4-6-10-19(17)24/h4-11,14-15H,12-13H2,1-3H3,(H,27,29)(H,25,26,28)
InChIKeyMGVPQRGSUVDTHW-UHFFFAOYSA-N
MW392.48 g/mol
LogP4.95
Rot. Bonds7

About 2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide

2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109330702) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109330702
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccccc2C(C)C)nc(NCCc2ccccc2F)n1
InChIInChI=1S/C23H25FN4O/c1-15(2)18-9-5-7-11-20(18)27-22(29)21-14-16(3)26-23(28-21)25-13-12-17-8-4-6-10-19(17)24/h4-11,14-15H,12-13H2,1-3H3,(H,27,29)(H,25,26,28)
InChIKeyMGVPQRGSUVDTHW-UHFFFAOYSA-N
XLogP4.95
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330692
N-(2,6-dimethylphenyl)-2-[2-(2-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330696
2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109328111
N-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333115
2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327468
N-[2-(2-fluorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109330734
N-(2-fluorophenyl)-6-methyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327406
N-[2-(2-fluorophenyl)ethyl]-2-(3-methoxypropylamino)-6-methylpyrimidine-4-carboxamide
CID 109323883
2,6-dimethyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 110858050
N-[2-(2-fluorophenyl)ethyl]-6-methyl-2-(4-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109330766
N-[2-(2-fluorophenyl)ethyl]-2-[(2-methoxyphenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109329095
2-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109321216

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide (CID 109330702) is 2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccccc2C(C)C)nc(NCCc2ccccc2F)n1.
What is the InChIKey of 2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is MGVPQRGSUVDTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-15(2)18-9-5-7-11-20(18)27-22(29)21-14-16(3)26-23(28-21)25-13-12-17-8-4-6-10-19(17)24/h4-11,14-15H,12-13H2,1-3H3,(H,27,29)(H,25,26,28).
What are the key properties of 2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide?
2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 4.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109330702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).