N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

C17H21N5O2 — CID 109302129

IUPACN-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccnc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H21N5O2/c1-21-9-11-22(12-10-21)17-18-8-7-14(20-17)16(23)19-13-5-3-4-6-15(13)24-2/h3-8H,9-12H2,1-2H3,(H,19,23)
InChIKeyCKFZYVQEJHNTFC-UHFFFAOYSA-N
MW327.39 g/mol
LogP1.49
Rot. Bonds4

About N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide

N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (PubChem CID 109302129) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
PubChem CID109302129
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccnc(N2CCN(C)CC2)n1
InChIInChI=1S/C17H21N5O2/c1-21-9-11-22(12-10-21)17-18-8-7-14(20-17)16(23)19-13-5-3-4-6-15(13)24-2/h3-8H,9-12H2,1-2H3,(H,19,23)
InChIKeyCKFZYVQEJHNTFC-UHFFFAOYSA-N
XLogP1.49
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylpiperazin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109302140
N-(2-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66504208
2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide
CID 109302090
2-(4-acetylpiperazin-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109303069
N-(2-ethoxyphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299069
N-(2-methoxyphenyl)-3-(4-methylpiperazin-1-yl)quinoxaline-2-carboxamide
CID 46365212
N-(2-bromophenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302496
2-(4-methylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109302142
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302195
ethyl 4-[[2-(4-methylpiperazin-1-yl)pyrimidine-4-carbonyl]amino]benzoate
CID 109302171
2-(2,3-dihydroindol-1-yl)-N-(2-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109314411
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109299122

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide (CID 109302129) is N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is COc1ccccc1NC(=O)c1ccnc(N2CCN(C)CC2)n1.
What is the InChIKey of N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
The InChIKey is CKFZYVQEJHNTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-21-9-11-22(12-10-21)17-18-8-7-14(20-17)16(23)19-13-5-3-4-6-15(13)24-2/h3-8H,9-12H2,1-2H3,(H,19,23).
What are the key properties of N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide?
N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109302129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).