N-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide

C22H24FN5O — CID 109268447

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnc(Nc3ccccc3F)nc2)c(C)c1
InChIInChI=1S/C22H24FN5O/c1-4-28(5-2)17-10-11-19(15(3)12-17)26-21(29)16-13-24-22(25-14-16)27-20-9-7-6-8-18(20)23/h6-14H,4-5H2,1-3H3,(H,26,29)(H,24,25,27)
InChIKeyLXMQRNGSNIBWEO-UHFFFAOYSA-N
MW393.47 g/mol
LogP4.77
Rot. Bonds7

About N-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide

N-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide (PubChem CID 109268447) has the molecular formula C22H24FN5O and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide
PubChem CID109268447
Molecular FormulaC22H24FN5O
Molecular Weight393.47 g/mol
Exact Mass393.20
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnc(Nc3ccccc3F)nc2)c(C)c1
InChIInChI=1S/C22H24FN5O/c1-4-28(5-2)17-10-11-19(15(3)12-17)26-21(29)16-13-24-22(25-14-16)27-20-9-7-6-8-18(20)23/h6-14H,4-5H2,1-3H3,(H,26,29)(H,24,25,27)
InChIKeyLXMQRNGSNIBWEO-UHFFFAOYSA-N
XLogP4.77
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(diethylamino)-2-methylanilino]-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265368
2-[4-(diethylamino)-2-methylanilino]-N-phenylpyrimidine-5-carboxamide
CID 109265163
N-(2,4-dimethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109266385
N-(4-chloro-2-methylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268395
N-[4-(diethylamino)-2-methylphenyl]-2-(furan-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109255203
N-(2,6-diethylphenyl)-2-(2-fluoroanilino)pyrimidine-5-carboxamide
CID 109268092
N-(4-chloro-2-methylphenyl)-2-(2-methylanilino)pyrimidine-5-carboxamide
CID 109265407
2-(2,6-difluoroanilino)-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266445
2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109265090
N-ethyl-2-(2-fluoroanilino)-N-phenylpyrimidine-5-carboxamide
CID 109267578
2-(2-methylanilino)-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
CID 109265472
N-(2,6-difluorophenyl)-2-(2,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109266523

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide (CID 109268447) is N-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide is CCN(CC)c1ccc(NC(=O)c2cnc(Nc3ccccc3F)nc2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide?
The InChIKey is LXMQRNGSNIBWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O/c1-4-28(5-2)17-10-11-19(15(3)12-17)26-21(29)16-13-24-22(25-14-16)27-20-9-7-6-8-18(20)23/h6-14H,4-5H2,1-3H3,(H,26,29)(H,24,25,27).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide?
N-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide has a molecular weight of 393.47 g/mol, XLogP of 4.77, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-2-(2-fluoroanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109268447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).