N,2-dimethyl-N-phenyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide

C22H24N4O2 — CID 112848591

IUPACN,2-dimethyl-N-phenyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2OC(C)C)cc(C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C22H24N4O2/c1-15(2)28-20-13-9-8-12-18(20)25-21-14-19(23-16(3)24-21)22(27)26(4)17-10-6-5-7-11-17/h5-15H,1-4H3,(H,23,24,25)
InChIKeyFJFJUBWIAVPGAL-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.59
Rot. Bonds6

About N,2-dimethyl-N-phenyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide

N,2-dimethyl-N-phenyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (PubChem CID 112848591) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N,2-dimethyl-N-phenyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-phenyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
PubChem CID112848591
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN,2-dimethyl-N-phenyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2OC(C)C)cc(C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C22H24N4O2/c1-15(2)28-20-13-9-8-12-18(20)25-21-14-19(23-16(3)24-21)22(27)26(4)17-10-6-5-7-11-17/h5-15H,1-4H3,(H,23,24,25)
InChIKeyFJFJUBWIAVPGAL-UHFFFAOYSA-N
XLogP4.59
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N,2-dimethyl-4-N-phenyl-6-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112877176
azepan-1-yl-[2-methyl-6-(2-propan-2-yloxyanilino)pyrimidin-4-yl]methanone
CID 112847805
N-(2,6-dimethylphenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112849208
6-(4-fluoroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848573
6-(5-chloro-2-methylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848578
6-(3,5-dichloroanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848621
N-(4-cyanophenyl)-2-methyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide
CID 112850706
6-(4-tert-butylanilino)-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 112848571
6-[(2-methoxyphenyl)methylamino]-N,2-dimethyl-N-phenylpyrimidine-4-carboxamide
CID 109370228
6-N-[3-(dimethylamino)propyl]-2-methyl-4-N-(2-propan-2-yloxyphenyl)pyrimidine-4,6-diamine
CID 112870627
6-(2-propan-2-yloxyanilino)pyridine-2-carboxylic acid
CID 82488459
6-(4-cyanoanilino)-2-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 112850714

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-phenyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N,2-dimethyl-N-phenyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide (CID 112848591) is N,2-dimethyl-N-phenyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-phenyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N,2-dimethyl-N-phenyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is Cc1nc(Nc2ccccc2OC(C)C)cc(C(=O)N(C)c2ccccc2)n1.
What is the InChIKey of N,2-dimethyl-N-phenyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
The InChIKey is FJFJUBWIAVPGAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15(2)28-20-13-9-8-12-18(20)25-21-14-19(23-16(3)24-21)22(27)26(4)17-10-6-5-7-11-17/h5-15H,1-4H3,(H,23,24,25).
What are the key properties of N,2-dimethyl-N-phenyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide?
N,2-dimethyl-N-phenyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-phenyl-6-(2-propan-2-yloxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 112848591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).