2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide

C23H26N4O2 — CID 109263593

IUPAC2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide
SMILESCC(C)CCNc1ncc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cn1
InChIInChI=1S/C23H26N4O2/c1-17(2)12-13-24-23-25-14-19(15-26-23)22(28)27-20-8-10-21(11-9-20)29-16-18-6-4-3-5-7-18/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyAOGDMQWEQAUUFR-UHFFFAOYSA-N
MW390.49 g/mol
LogP4.77
Rot. Bonds9

About 2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide

2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109263593) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109263593
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide
SMILESCC(C)CCNc1ncc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cn1
InChIInChI=1S/C23H26N4O2/c1-17(2)12-13-24-23-25-14-19(15-26-23)22(28)27-20-8-10-21(11-9-20)29-16-18-6-4-3-5-7-18/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,27,28)(H,24,25,26)
InChIKeyAOGDMQWEQAUUFR-UHFFFAOYSA-N
XLogP4.77
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylbutylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 109263592
5-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
CID 109195683
2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide
CID 109263041
N-(4-ethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109263536
N-[4-(2-methylpropoxy)phenyl]-4-phenylmethoxybenzamide
CID 4958406
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470
N-(2-methylpropyl)-2-(4-phenylmethoxyanilino)pyrimidine-5-carboxamide
CID 109248589
N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259590
N-(3-methylbutyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259527
2-(benzylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109255447
2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256382
N-(4-acetylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259588

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide (CID 109263593) is 2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide is CC(C)CCNc1ncc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cn1.
What is the InChIKey of 2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is AOGDMQWEQAUUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-17(2)12-13-24-23-25-14-19(15-26-23)22(28)27-20-8-10-21(11-9-20)29-16-18-6-4-3-5-7-18/h3-11,14-15,17H,12-13,16H2,1-2H3,(H,27,28)(H,24,25,26).
What are the key properties of 2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide?
2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 4.77, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).