N-(2-methoxyethyl)-2-methyl-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide

C20H27N5O2 — CID 109364946

IUPACN-(2-methoxyethyl)-2-methyl-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(Nc2ccc(N3CCCCC3)cc2)nc(C)n1
InChIInChI=1S/C20H27N5O2/c1-15-22-18(20(26)21-10-13-27-2)14-19(23-15)24-16-6-8-17(9-7-16)25-11-4-3-5-12-25/h6-9,14H,3-5,10-13H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyAQYKHTYCQNVJGQ-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.90
Rot. Bonds7

About N-(2-methoxyethyl)-2-methyl-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide

N-(2-methoxyethyl)-2-methyl-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109364946) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
PubChem CID109364946
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC NameN-(2-methoxyethyl)-2-methyl-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
SMILESCOCCNC(=O)c1cc(Nc2ccc(N3CCCCC3)cc2)nc(C)n1
InChIInChI=1S/C20H27N5O2/c1-15-22-18(20(26)21-10-13-27-2)14-19(23-15)24-16-6-8-17(9-7-16)25-11-4-3-5-12-25/h6-9,14H,3-5,10-13H2,1-2H3,(H,21,26)(H,22,23,24)
InChIKeyAQYKHTYCQNVJGQ-UHFFFAOYSA-N
XLogP2.90
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-(2-methylpropyl)-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109362270
2-methyl-6-(4-piperidin-1-ylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 112847615
6-N-(3-methoxypropyl)-2-methyl-4-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4,6-diamine
CID 112869774
6-(cyclohexylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109363775
N-(2-methoxyethyl)-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109323814
6-(3-chloro-4-methylanilino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365263
4-[[2-methyl-6-(4-pyrrolidin-1-ylanilino)pyrimidin-4-yl]amino]benzoic acid
CID 113193334
2-methyl-6-[4-(4-methylpiperidin-1-yl)anilino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362271
2-methyl-6-(propylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109360131
N-butyl-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109361864
6-(tert-butylamino)-2-methyl-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109373734
3-N-(2-methoxyethyl)-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide
CID 109103527

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide (CID 109364946) is N-(2-methoxyethyl)-2-methyl-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide is COCCNC(=O)c1cc(Nc2ccc(N3CCCCC3)cc2)nc(C)n1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is AQYKHTYCQNVJGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-15-22-18(20(26)21-10-13-27-2)14-19(23-15)24-16-6-8-17(9-7-16)25-11-4-3-5-12-25/h6-9,14H,3-5,10-13H2,1-2H3,(H,21,26)(H,22,23,24).
What are the key properties of N-(2-methoxyethyl)-2-methyl-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide?
N-(2-methoxyethyl)-2-methyl-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-6-(4-piperidin-1-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109364946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).