4-amino-N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide

C23H32N6O2 — CID 53336252

IUPAC4-amino-N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(N3CCC(N4CCCCC4)CC3)nc2N)cc1
InChIInChI=1S/C23H32N6O2/c1-2-31-19-8-6-17(7-9-19)26-22(30)20-16-25-23(27-21(20)24)29-14-10-18(11-15-29)28-12-4-3-5-13-28/h6-9,16,18H,2-5,10-15H2,1H3,(H,26,30)(H2,24,25,27)
InChIKeyYKQYUUVMBOYQKE-UHFFFAOYSA-N
MW424.55 g/mol
LogP3.16
Rot. Bonds6

About 4-amino-N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide

4-amino-N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide (PubChem CID 53336252) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is 4-amino-N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide
PubChem CID53336252
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name4-amino-N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(N3CCC(N4CCCCC4)CC3)nc2N)cc1
InChIInChI=1S/C23H32N6O2/c1-2-31-19-8-6-17(7-9-19)26-22(30)20-16-25-23(27-21(20)24)29-14-10-18(11-15-29)28-12-4-3-5-13-28/h6-9,16,18H,2-5,10-15H2,1H3,(H,26,30)(H2,24,25,27)
InChIKeyYKQYUUVMBOYQKE-UHFFFAOYSA-N
XLogP3.16
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-thiomorpholin-4-ylpyrimidine-5-carboxamide
CID 53144022
4-amino-N-(4-ethoxyphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 53490819
4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53336276
4-amino-2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 53144015
4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide
CID 53143924
ethyl 1-[4-amino-5-(benzylcarbamoyl)pyrimidin-2-yl]piperidine-4-carboxylate
CID 53143945
4-amino-2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 172594354
5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109196897
N-(4-hydroxyphenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66504155
methyl 4-amino-2-piperidin-1-ylpyrimidine-5-carboxylate;hydrochloride
CID 3078702
N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250209

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide (CID 53336252) is 4-amino-N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide is CCOc1ccc(NC(=O)c2cnc(N3CCC(N4CCCCC4)CC3)nc2N)cc1.
What is the InChIKey of 4-amino-N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is YKQYUUVMBOYQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2/c1-2-31-19-8-6-17(7-9-19)26-22(30)20-16-25-23(27-21(20)24)29-14-10-18(11-15-29)28-12-4-3-5-13-28/h6-9,16,18H,2-5,10-15H2,1H3,(H,26,30)(H2,24,25,27).
What are the key properties of 4-amino-N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide?
4-amino-N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 424.55 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 53336252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).