2-(2,4-dimethoxyanilino)-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide

C22H24N4O3 — CID 109328179

IUPAC2-(2,4-dimethoxyanilino)-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nc(C)cc(C(=O)NC(C)c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C22H24N4O3/c1-14-12-19(21(27)24-15(2)16-8-6-5-7-9-16)26-22(23-14)25-18-11-10-17(28-3)13-20(18)29-4/h5-13,15H,1-4H3,(H,24,27)(H,23,25,26)
InChIKeyOBPNNGIILBXIRR-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.04
Rot. Bonds7

About 2-(2,4-dimethoxyanilino)-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide

2-(2,4-dimethoxyanilino)-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide (PubChem CID 109328179) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-(2,4-dimethoxyanilino)-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,4-dimethoxyanilino)-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
PubChem CID109328179
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name2-(2,4-dimethoxyanilino)-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
SMILESCOc1ccc(Nc2nc(C)cc(C(=O)NC(C)c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C22H24N4O3/c1-14-12-19(21(27)24-15(2)16-8-6-5-7-9-16)26-22(23-14)25-18-11-10-17(28-3)13-20(18)29-4/h5-13,15H,1-4H3,(H,24,27)(H,23,25,26)
InChIKeyOBPNNGIILBXIRR-UHFFFAOYSA-N
XLogP4.04
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 100779285
2-(2,4-dimethoxyanilino)-N,N-diethyl-6-methylpyrimidine-4-carboxamide
CID 109332388
2-(2-methoxyanilino)-6-methyl-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337428
2,4-dimethoxy-N-[(1S)-1-phenylethyl]benzamide
CID 814199
N-(2,4-dimethoxyphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333139
6-methyl-2-(pentylamino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109328129
2-(3-methoxyanilino)-6-methyl-N-(2-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109337491
4-N-(2,4-dimethoxyphenyl)-6-methyl-2-N-(2-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112928987
N-butan-2-yl-2-(2,4-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109297406
2-anilino-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109334565
2-(5-chloro-2-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304925
N-butan-2-yl-2-(4-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109321493

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethoxyanilino)-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(2,4-dimethoxyanilino)-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide (CID 109328179) is 2-(2,4-dimethoxyanilino)-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,4-dimethoxyanilino)-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,4-dimethoxyanilino)-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide is COc1ccc(Nc2nc(C)cc(C(=O)NC(C)c3ccccc3)n2)c(OC)c1.
What is the InChIKey of 2-(2,4-dimethoxyanilino)-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide?
The InChIKey is OBPNNGIILBXIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-12-19(21(27)24-15(2)16-8-6-5-7-9-16)26-22(23-14)25-18-11-10-17(28-3)13-20(18)29-4/h5-13,15H,1-4H3,(H,24,27)(H,23,25,26).
What are the key properties of 2-(2,4-dimethoxyanilino)-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide?
2-(2,4-dimethoxyanilino)-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethoxyanilino)-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109328179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).