N-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide

C22H24N4O2 — CID 109357754

IUPACN-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)Nc3ccccc3C(C)(C)C)ncn2)c1
InChIInChI=1S/C22H24N4O2/c1-22(2,3)17-10-5-6-11-18(17)26-21(27)19-13-20(24-14-23-19)25-15-8-7-9-16(12-15)28-4/h5-14H,1-4H3,(H,26,27)(H,23,24,25)
InChIKeyFANVGLRELSRAJR-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.78
Rot. Bonds5

About N-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide

N-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109357754) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
PubChem CID109357754
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)Nc3ccccc3C(C)(C)C)ncn2)c1
InChIInChI=1S/C22H24N4O2/c1-22(2,3)17-10-5-6-11-18(17)26-21(27)19-13-20(24-14-23-19)25-15-8-7-9-16(12-15)28-4/h5-14H,1-4H3,(H,26,27)(H,23,24,25)
InChIKeyFANVGLRELSRAJR-UHFFFAOYSA-N
XLogP4.78
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109358798
6-(3-methoxyanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355832
methyl 2-[[6-(3-methoxyanilino)pyrimidine-4-carbonyl]amino]benzoate
CID 109358805
N-(2-tert-butylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109177158
N-(2-tert-butylphenyl)-6-(4-fluoroanilino)pyrimidine-4-carboxamide
CID 109357752
N-(2,4-dimethoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358796
N-(2,5-dimethylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109356884
N-(2-tert-butylphenyl)-6-[(4-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109349091
methyl 2-[[6-[(3-methoxyphenyl)carbamoyl]pyrimidin-4-yl]amino]benzoate
CID 109358852
6-(2-tert-butylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357737
N-(3-chloro-4-methoxyphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109358617
4-(3-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109221605

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide (CID 109357754) is N-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide is COc1cccc(Nc2cc(C(=O)Nc3ccccc3C(C)(C)C)ncn2)c1.
What is the InChIKey of N-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is FANVGLRELSRAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-22(2,3)17-10-5-6-11-18(17)26-21(27)19-13-20(24-14-23-19)25-15-8-7-9-16(12-15)28-4/h5-14H,1-4H3,(H,26,27)(H,23,24,25).
What are the key properties of N-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide?
N-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109357754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).