2-(tert-butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-5-carboxamide

C17H23N5O — CID 109263032

IUPAC2-(tert-butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-5-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cnc(NC(C)(C)C)nc2)cc1
InChIInChI=1S/C17H23N5O/c1-17(2,3)21-16-18-10-12(11-19-16)15(23)20-13-6-8-14(9-7-13)22(4)5/h6-11H,1-5H3,(H,20,23)(H,18,19,21)
InChIKeyJUNGQQIYXJFICI-UHFFFAOYSA-N
MW313.41 g/mol
LogP3.01
Rot. Bonds4

About 2-(tert-butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-5-carboxamide

2-(tert-butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-5-carboxamide (PubChem CID 109263032) has the molecular formula C17H23N5O and a molecular weight of 313.41 g/mol. Its IUPAC name is 2-(tert-butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(tert-butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-5-carboxamide
PubChem CID109263032
Molecular FormulaC17H23N5O
Molecular Weight313.41 g/mol
Exact Mass313.19
IUPAC Name2-(tert-butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-5-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cnc(NC(C)(C)C)nc2)cc1
InChIInChI=1S/C17H23N5O/c1-17(2,3)21-16-18-10-12(11-19-16)15(23)20-13-6-8-14(9-7-13)22(4)5/h6-11H,1-5H3,(H,20,23)(H,18,19,21)
InChIKeyJUNGQQIYXJFICI-UHFFFAOYSA-N
XLogP3.01
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.41
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-(tert-butylamino)-N-(4-chlorophenyl)pyrimidine-5-carboxamide
CID 109262998
2-(tert-butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109263016
2-N,5-N-bis[4-(dimethylamino)phenyl]pyridine-2,5-dicarboxamide
CID 4165025
2-(tert-butylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-5-carboxamide
CID 109263034
4-N-tert-butyl-1-N-[4-(dimethylamino)phenyl]benzene-1,4-dicarboxamide
CID 109048526
2-[4-(dimethylamino)anilino]-N-(3,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109266730
2-(tert-butylamino)-N-(4-phenylmethoxyphenyl)pyrimidine-5-carboxamide
CID 109263041
N-[4-(dimethylamino)phenyl]-2-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-5-carboxamide
CID 109270286
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
N-[4-(dimethylamino)phenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 86985414
N-[4-(dimethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 110695872
2-(tert-butylamino)-N-[2,6-di(propan-2-yl)phenyl]pyrimidine-5-carboxamide
CID 109263050

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(tert-butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-5-carboxamide (CID 109263032) is 2-(tert-butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(tert-butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(tert-butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-5-carboxamide is CN(C)c1ccc(NC(=O)c2cnc(NC(C)(C)C)nc2)cc1.
What is the InChIKey of 2-(tert-butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-5-carboxamide?
The InChIKey is JUNGQQIYXJFICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-17(2,3)21-16-18-10-12(11-19-16)15(23)20-13-6-8-14(9-7-13)22(4)5/h6-11H,1-5H3,(H,20,23)(H,18,19,21).
What are the key properties of 2-(tert-butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-5-carboxamide?
2-(tert-butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-5-carboxamide has a molecular weight of 313.41 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 109263032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).