6-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide

C21H29N5O2 — CID 109367187

IUPAC6-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCCN1CCN(c2cc(C(=O)NCCc3cccc(OC)c3)nc(C)n2)CC1
InChIInChI=1S/C21H29N5O2/c1-4-25-10-12-26(13-11-25)20-15-19(23-16(2)24-20)21(27)22-9-8-17-6-5-7-18(14-17)28-3/h5-7,14-15H,4,8-13H2,1-3H3,(H,22,27)
InChIKeyBXFFRNDTAQKENU-UHFFFAOYSA-N
MW383.50 g/mol
LogP1.91
Rot. Bonds7

About 6-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide

6-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide (PubChem CID 109367187) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 6-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
PubChem CID109367187
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name6-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
SMILESCCN1CCN(c2cc(C(=O)NCCc3cccc(OC)c3)nc(C)n2)CC1
InChIInChI=1S/C21H29N5O2/c1-4-25-10-12-26(13-11-25)20-15-19(23-16(2)24-20)21(27)22-9-8-17-6-5-7-18(14-17)28-3/h5-7,14-15H,4,8-13H2,1-3H3,(H,22,27)
InChIKeyBXFFRNDTAQKENU-UHFFFAOYSA-N
XLogP1.91
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109278597
6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365167
N-butyl-6-(4-ethylpiperazin-1-yl)-2-methylpyrimidine-4-carboxamide
CID 109361753
6-(diethylamino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372125
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360220
6-(4-ethylpiperazin-1-yl)-2-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109367168
N-[2-(3-methoxyphenyl)ethyl]-2-methyl-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109361970
6-(4-cyanoanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372162
6-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372149
6-(4-ethylpiperazin-1-yl)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360588
6-(4-ethylpiperazine-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109096805
N-[2-(4-methoxyphenyl)ethyl]-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109372214

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide (CID 109367187) is 6-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide is CCN1CCN(c2cc(C(=O)NCCc3cccc(OC)c3)nc(C)n2)CC1.
What is the InChIKey of 6-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
The InChIKey is BXFFRNDTAQKENU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-4-25-10-12-26(13-11-25)20-15-19(23-16(2)24-20)21(27)22-9-8-17-6-5-7-18(14-17)28-3/h5-7,14-15H,4,8-13H2,1-3H3,(H,22,27).
What are the key properties of 6-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide?
6-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 1.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylpiperazin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109367187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).