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

C22H24N4O2 — CID 109263592

IUPAC2-(3-methylbutylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
SMILESCC(C)CCNc1ncc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1
InChIInChI=1S/C22H24N4O2/c1-16(2)12-13-23-22-24-14-17(15-25-22)21(27)26-18-8-10-20(11-9-18)28-19-6-4-3-5-7-19/h3-11,14-16H,12-13H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyGLAMZDRQFFUMJS-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.98
Rot. Bonds8

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

2-(3-methylbutylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 109263592) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-(3-methylbutylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(3-methylbutylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
PubChem CID109263592
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-(3-methylbutylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
SMILESCC(C)CCNc1ncc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1
InChIInChI=1S/C22H24N4O2/c1-16(2)12-13-23-22-24-14-17(15-25-22)21(27)26-18-8-10-20(11-9-18)28-19-6-4-3-5-7-19/h3-11,14-16H,12-13H2,1-2H3,(H,26,27)(H,23,24,25)
InChIKeyGLAMZDRQFFUMJS-UHFFFAOYSA-N
XLogP4.98
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide
CID 109263593
N-(4-ethylphenyl)-2-(3-methylbutylamino)pyrimidine-5-carboxamide
CID 109263536
2-(3-methylbutylamino)-N-(1-phenylethyl)pyrimidine-5-carboxamide
CID 109256382
2-(oxolan-2-ylmethylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide
CID 109252640
3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 4981650
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470
2-(3-methylbutylamino)-N-(3,4,5-trimethoxyphenyl)pyrimidine-5-carboxamide
CID 109263606
2-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-5-carboxamide
CID 109263588
N-(4-acetamidophenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259590
N-butan-2-yl-2-(4-phenoxyanilino)pyrimidine-5-carboxamide
CID 109248974
N-(4-propan-2-yloxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258756
5-(3-methylbutylamino)-N-(4-phenylmethoxyphenyl)pyridine-2-carboxamide
CID 109195683

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(3-methylbutylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide (CID 109263592) is 2-(3-methylbutylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(3-methylbutylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(3-methylbutylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide is CC(C)CCNc1ncc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cn1.
What is the InChIKey of 2-(3-methylbutylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is GLAMZDRQFFUMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-16(2)12-13-23-22-24-14-17(15-25-22)21(27)26-18-8-10-20(11-9-18)28-19-6-4-3-5-7-19/h3-11,14-16H,12-13H2,1-2H3,(H,26,27)(H,23,24,25).
What are the key properties of 2-(3-methylbutylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide?
2-(3-methylbutylamino)-N-(4-phenoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 4.98, 8 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-phenoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109263592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).