6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide

C23H33N5O — CID 109333268

IUPAC6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCC(C)C)nc(Nc2ccc(N3CCC(C)CC3)cc2)n1
InChIInChI=1S/C23H33N5O/c1-16(2)9-12-24-22(29)21-15-18(4)25-23(27-21)26-19-5-7-20(8-6-19)28-13-10-17(3)11-14-28/h5-8,15-17H,9-14H2,1-4H3,(H,24,29)(H,25,26,27)
InChIKeyNSLJYIAUNJBSDX-UHFFFAOYSA-N
MW395.55 g/mol
LogP4.54
Rot. Bonds7

About 6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide

6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide (PubChem CID 109333268) has the molecular formula C23H33N5O and a molecular weight of 395.55 g/mol. Its IUPAC name is 6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
PubChem CID109333268
Molecular FormulaC23H33N5O
Molecular Weight395.55 g/mol
Exact Mass395.27
IUPAC Name6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCCC(C)C)nc(Nc2ccc(N3CCC(C)CC3)cc2)n1
InChIInChI=1S/C23H33N5O/c1-16(2)9-12-24-22(29)21-15-18(4)25-23(27-21)26-19-5-7-20(8-6-19)28-13-10-17(3)11-14-28/h5-8,15-17H,9-14H2,1-4H3,(H,24,29)(H,25,26,27)
InChIKeyNSLJYIAUNJBSDX-UHFFFAOYSA-N
XLogP4.54
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.54
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-methyl-2-(3-methylbutylamino)-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109333156
2-(4-ethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333217
2-(4-tert-butylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333226
2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333213
N-(2-methoxyethyl)-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109323814
6-methyl-N-[4-(4-methylpiperidin-1-yl)phenyl]-2-(propylamino)pyrimidine-4-carboxamide
CID 109319017
2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362271
2-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109297039
6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333205
N-(2-methoxyethyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109299931
(3-methylpiperidin-1-yl)-[6-methyl-2-(4-piperidin-1-ylanilino)pyrimidin-4-yl]methanone
CID 109334084
2-(cycloheptylamino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109332847

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide (CID 109333268) is 6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide is Cc1cc(C(=O)NCCC(C)C)nc(Nc2ccc(N3CCC(C)CC3)cc2)n1.
What is the InChIKey of 6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide?
The InChIKey is NSLJYIAUNJBSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O/c1-16(2)9-12-24-22(29)21-15-18(4)25-23(27-21)26-19-5-7-20(8-6-19)28-13-10-17(3)11-14-28/h5-8,15-17H,9-14H2,1-4H3,(H,24,29)(H,25,26,27).
What are the key properties of 6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide?
6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide has a molecular weight of 395.55 g/mol, XLogP of 4.54, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-N-(3-methylbutyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109333268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).