(4R)-2-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

C18H26N5O3+ — CID 2027295

About (4R)-2-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide

(4R)-2-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (PubChem CID 2027295) has the molecular formula C18H26N5O3+ and a molecular weight of 360.44 g/mol. Its IUPAC name is (4R)-2-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: (4R)-2-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
• PubChem CID: 2027295
• Molecular Formula: C18H26N5O3+
• Molecular Weight: 360.44 g/mol
• Exact Mass: 360.20
• IUPAC Name: (4R)-2-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide
• SMILES: CC[NH+]1CCN(C2=N[C@@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2)CC1
• InChI: InChI=1S/C18H25N5O3/c1-3-22-8-10-23(11-9-22)18-20-15(12-16(24)21-18)17(25)19-13-4-6-14(26-2)7-5-13/h4-7,15H,3,8-12H2,1-2H3,(H,19,25)(H,20,21,24)/p+1/t15-/m1/s1
• InChIKey: AORCDTISQGITMF-OAHLLOKOSA-O
• XLogP: -0.90
• TPSA: 87.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.44
LogP ≤ 5	-0.90
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4R)-2-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?

The IUPAC name of (4R)-2-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide (CID 2027295) is (4R)-2-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide.

What is the SMILES notation for (4R)-2-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?

The canonical SMILES for (4R)-2-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is CC[NH+]1CCN(C2=N[C@@H](C(=O)Nc3ccc(OC)cc3)CC(=O)N2)CC1.

What is the InChIKey of (4R)-2-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?

The InChIKey is AORCDTISQGITMF-OAHLLOKOSA-O. The full InChI is InChI=1S/C18H25N5O3/c1-3-22-8-10-23(11-9-22)18-20-15(12-16(24)21-18)17(25)19-13-4-6-14(26-2)7-5-13/h4-7,15H,3,8-12H2,1-2H3,(H,19,25)(H,20,21,24)/p+1/t15-/m1/s1.

What are the key properties of (4R)-2-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide?

(4R)-2-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide has a molecular weight of 360.44 g/mol, XLogP of -0.90, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-(4-ethylpiperazin-4-ium-1-yl)-N-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 2027295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).