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

C19H25N5O2 — CID 53490821

IUPAC4-amino-2-(azepan-1-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(N3CCCCCC3)nc2N)cc1
InChIInChI=1S/C19H25N5O2/c1-2-26-15-9-7-14(8-10-15)22-18(25)16-13-21-19(23-17(16)20)24-11-5-3-4-6-12-24/h7-10,13H,2-6,11-12H2,1H3,(H,22,25)(H2,20,21,23)
InChIKeyVXCDDFBQHOBXRG-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.09
Rot. Bonds5

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

4-amino-2-(azepan-1-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 53490821) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-amino-2-(azepan-1-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(azepan-1-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
PubChem CID53490821
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name4-amino-2-(azepan-1-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
SMILESCCOc1ccc(NC(=O)c2cnc(N3CCCCCC3)nc2N)cc1
InChIInChI=1S/C19H25N5O2/c1-2-26-15-9-7-14(8-10-15)22-18(25)16-13-21-19(23-17(16)20)24-11-5-3-4-6-12-24/h7-10,13H,2-6,11-12H2,1H3,(H,22,25)(H2,20,21,23)
InChIKeyVXCDDFBQHOBXRG-UHFFFAOYSA-N
XLogP3.09
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 ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
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
4-amino-2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 172594354
N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250209
4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53143942

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(azepan-1-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 4-amino-2-(azepan-1-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide (CID 53490821) is 4-amino-2-(azepan-1-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-2-(azepan-1-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-2-(azepan-1-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide is CCOc1ccc(NC(=O)c2cnc(N3CCCCCC3)nc2N)cc1.
What is the InChIKey of 4-amino-2-(azepan-1-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is VXCDDFBQHOBXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-2-26-15-9-7-14(8-10-15)22-18(25)16-13-21-19(23-17(16)20)24-11-5-3-4-6-12-24/h7-10,13H,2-6,11-12H2,1H3,(H,22,25)(H2,20,21,23).
What are the key properties of 4-amino-2-(azepan-1-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide?
4-amino-2-(azepan-1-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(azepan-1-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 53490821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).