6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide

C15H17FN4O — CID 109360683

IUPAC6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2F)cc(C(=O)NC(C)C)n1
InChIInChI=1S/C15H17FN4O/c1-9(2)17-15(21)13-8-14(19-10(3)18-13)20-12-7-5-4-6-11(12)16/h4-9H,1-3H3,(H,17,21)(H,18,19,20)
InChIKeyWGQHRFOYHWROLF-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.81
Rot. Bonds4

About 6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide

6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide (PubChem CID 109360683) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
PubChem CID109360683
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2F)cc(C(=O)NC(C)C)n1
InChIInChI=1S/C15H17FN4O/c1-9(2)17-15(21)13-8-14(19-10(3)18-13)20-12-7-5-4-6-11(12)16/h4-9H,1-3H3,(H,17,21)(H,18,19,20)
InChIKeyWGQHRFOYHWROLF-UHFFFAOYSA-N
XLogP2.81
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-propan-2-yl-6-(2-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109360676
6-(2-cyanoanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360758
6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360701
6-(2-fluoroanilino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112848419
6-(2-fluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 112849811
6-(2,4-difluoroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849855
6-(2-ethylanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849315
6-(2,5-dichloroanilino)-N-(2-fluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 112849859
6-(2-fluoroanilino)-2-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368872
N-[2-(4-chlorophenyl)ethyl]-6-(2-fluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109372800
N-(2-fluorophenyl)-2-methyl-6-(4-methylanilino)pyrimidine-4-carboxamide
CID 112848349
6-(2-fluoroanilino)-N-(furan-2-ylmethyl)-2-methylpyrimidine-4-carboxamide
CID 109368156

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide (CID 109360683) is 6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide is Cc1nc(Nc2ccccc2F)cc(C(=O)NC(C)C)n1.
What is the InChIKey of 6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
The InChIKey is WGQHRFOYHWROLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c1-9(2)17-15(21)13-8-14(19-10(3)18-13)20-12-7-5-4-6-11(12)16/h4-9H,1-3H3,(H,17,21)(H,18,19,20).
What are the key properties of 6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide?
6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide has a molecular weight of 288.33 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoroanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109360683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).