6-(tert-butylamino)-2-methyl-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide

C21H29N5O — CID 109373734

IUPAC6-(tert-butylamino)-2-methyl-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(NC(C)(C)C)cc(C(=O)Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C21H29N5O/c1-15-22-18(14-19(23-15)25-21(2,3)4)20(27)24-16-8-10-17(11-9-16)26-12-6-5-7-13-26/h8-11,14H,5-7,12-13H2,1-4H3,(H,24,27)(H,22,23,25)
InChIKeyMGZKYYPENREBAF-UHFFFAOYSA-N
MW367.50 g/mol
LogP4.24
Rot. Bonds4

About 6-(tert-butylamino)-2-methyl-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide

6-(tert-butylamino)-2-methyl-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109373734) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is 6-(tert-butylamino)-2-methyl-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(tert-butylamino)-2-methyl-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109373734
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC Name6-(tert-butylamino)-2-methyl-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
SMILESCc1nc(NC(C)(C)C)cc(C(=O)Nc2ccc(N3CCCCC3)cc2)n1
InChIInChI=1S/C21H29N5O/c1-15-22-18(14-19(23-15)25-21(2,3)4)20(27)24-16-8-10-17(11-9-16)26-12-6-5-7-13-26/h8-11,14H,5-7,12-13H2,1-4H3,(H,24,27)(H,22,23,25)
InChIKeyMGZKYYPENREBAF-UHFFFAOYSA-N
XLogP4.24
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 54.24
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

6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109363902
2-methyl-6-(propylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109360131
2-methyl-6-pyrrolidin-1-yl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109362838
N-[4-(azepan-1-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 55856932
2-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363576
6-(azepan-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 112847676
2-methyl-N-(4-methylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109363513
6-(cyclopropylamino)-2-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109360922
N-(4-acetamidophenyl)-2-methyl-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362830
2-methyl-N-(2-methylpropyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109362270
5-tert-butyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide
CID 78887587
6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 38697211

Frequently Asked Questions

What is the IUPAC name of 6-(tert-butylamino)-2-methyl-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-(tert-butylamino)-2-methyl-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide (CID 109373734) is 6-(tert-butylamino)-2-methyl-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(tert-butylamino)-2-methyl-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-(tert-butylamino)-2-methyl-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide is Cc1nc(NC(C)(C)C)cc(C(=O)Nc2ccc(N3CCCCC3)cc2)n1.
What is the InChIKey of 6-(tert-butylamino)-2-methyl-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is MGZKYYPENREBAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-15-22-18(14-19(23-15)25-21(2,3)4)20(27)24-16-8-10-17(11-9-16)26-12-6-5-7-13-26/h8-11,14H,5-7,12-13H2,1-4H3,(H,24,27)(H,22,23,25).
What are the key properties of 6-(tert-butylamino)-2-methyl-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide?
6-(tert-butylamino)-2-methyl-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(tert-butylamino)-2-methyl-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109373734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).