4-amino-N-(4-ethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide

C19H25N5O2 — CID 53490819

IUPAC4-amino-N-(4-ethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(N3CCCC(C)C3)nc2N)cc1
InChIInChI=1S/C19H25N5O2/c1-3-26-15-8-6-14(7-9-15)22-18(25)16-11-21-19(23-17(16)20)24-10-4-5-13(2)12-24/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,22,25)(H2,20,21,23)
InChIKeyWSRHQXOUOUHFSQ-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.95
Rot. Bonds5

About 4-amino-N-(4-ethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide

4-amino-N-(4-ethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide (PubChem CID 53490819) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-amino-N-(4-ethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-ethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
PubChem CID53490819
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name4-amino-N-(4-ethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(N3CCCC(C)C3)nc2N)cc1
InChIInChI=1S/C19H25N5O2/c1-3-26-15-8-6-14(7-9-15)22-18(25)16-11-21-19(23-17(16)20)24-10-4-5-13(2)12-24/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,22,25)(H2,20,21,23)
InChIKeyWSRHQXOUOUHFSQ-UHFFFAOYSA-N
XLogP2.95
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(azepan-1-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 53490821
4-amino-N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 53336252
4-amino-N-(4-ethoxyphenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide
CID 53144022
N-(4-ethoxyphenyl)-2-[6-methyl-2-[(3S)-3-methylpiperidin-1-yl]pyrimidin-4-yl]oxyacetamide
CID 51611391
N-(4-ethylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 109264445
4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53336276
4-ethoxy-N-[4-(3-methylpyrrolidin-1-yl)phenyl]benzamide
CID 56559078
N-(4-acetamidophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312710
4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 53144015
(2S)-N-(4-ethoxyphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275461
4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide
CID 53143924
ethyl N-[6-(3-methylpiperidin-1-yl)-3-pyridinyl]carbamate
CID 113015658

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-ethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-(4-ethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide (CID 53490819) is 4-amino-N-(4-ethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-ethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-ethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide is CCOc1ccc(NC(=O)c2cnc(N3CCCC(C)C3)nc2N)cc1.
What is the InChIKey of 4-amino-N-(4-ethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is WSRHQXOUOUHFSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-3-26-15-8-6-14(7-9-15)22-18(25)16-11-21-19(23-17(16)20)24-10-4-5-13(2)12-24/h6-9,11,13H,3-5,10,12H2,1-2H3,(H,22,25)(H2,20,21,23).
What are the key properties of 4-amino-N-(4-ethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide?
4-amino-N-(4-ethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-ethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 53490819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).