4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide

C23H25FN4O — CID 50783882

IUPAC4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1
InChIInChI=1S/C23H25FN4O/c1-3-13-28(14-4-2)23(29)18-7-11-20(12-8-18)27-22-15-21(25-16-26-22)17-5-9-19(24)10-6-17/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,25,26,27)
InChIKeyVVKLPBXNTQUXBP-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.29
Rot. Bonds8

About 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide

4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide (PubChem CID 50783882) has the molecular formula C23H25FN4O and a molecular weight of 392.48 g/mol. Its IUPAC name is 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide.

Molecular Properties

Compound Name4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
PubChem CID50783882
Molecular FormulaC23H25FN4O
Molecular Weight392.48 g/mol
Exact Mass392.20
IUPAC Name4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
SMILESCCCN(CCC)C(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1
InChIInChI=1S/C23H25FN4O/c1-3-13-28(14-4-2)23(29)18-7-11-20(12-8-18)27-22-15-21(25-16-26-22)17-5-9-19(24)10-6-17/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,25,26,27)
InChIKeyVVKLPBXNTQUXBP-UHFFFAOYSA-N
XLogP5.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[6-(3-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
CID 50783476
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-propylbenzamide
CID 50783837
N-butyl-N-ethyl-4-[[6-(4-methylphenyl)pyrimidin-4-yl]amino]benzamide
CID 46327347
N-(3-ethoxypropyl)-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 50783831
N-[(4-chlorophenyl)methyl]-4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 46327334
3-[[6-(3-methylphenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide
CID 46327059
6-(4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109355343
4-(6-anilinopyrimidin-4-yl)-N,N-dimethylbenzamide
CID 3235401
4-[[6-(3-fluorophenyl)pyridazin-3-yl]amino]-N,N-dipropylbenzamide
CID 46320757
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 50783843
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(4-phenylbutan-2-yl)benzamide
CID 46327336
N-[2-(dimethylamino)ethyl]-4-[6-[4-(trifluoromethoxy)anilino]pyrimidin-4-yl]benzamide
CID 59983044

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide?
The IUPAC name of 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide (CID 50783882) is 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide.
What is the SMILES notation for 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide?
The canonical SMILES for 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide is CCCN(CCC)C(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)ncn2)cc1.
What is the InChIKey of 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide?
The InChIKey is VVKLPBXNTQUXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O/c1-3-13-28(14-4-2)23(29)18-7-11-20(12-8-18)27-22-15-21(25-16-26-22)17-5-9-19(24)10-6-17/h5-12,15-16H,3-4,13-14H2,1-2H3,(H,25,26,27).
What are the key properties of 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide?
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide has a molecular weight of 392.48 g/mol, XLogP of 5.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N,N-dipropylbenzamide is sourced from PubChem (CID 50783882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).