N-(4-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide

C18H23N5O2 — CID 46345578

IUPACN-(4-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N3CCN(C)CC3)nc2C)cc1
InChIInChI=1S/C18H23N5O2/c1-13-16(17(24)21-14-4-6-15(25-3)7-5-14)12-19-18(20-13)23-10-8-22(2)9-11-23/h4-7,12H,8-11H2,1-3H3,(H,21,24)
InChIKeyAIFVUFJUEXYSLY-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.80
Rot. Bonds4

About N-(4-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide

N-(4-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 46345578) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID46345578
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-(4-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCOc1ccc(NC(=O)c2cnc(N3CCN(C)CC3)nc2C)cc1
InChIInChI=1S/C18H23N5O2/c1-13-16(17(24)21-14-4-6-15(25-3)7-5-14)12-19-18(20-13)23-10-8-22(2)9-11-23/h4-7,12H,8-11H2,1-3H3,(H,21,24)
InChIKeyAIFVUFJUEXYSLY-UHFFFAOYSA-N
XLogP1.80
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(4-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 46345578) is N-(4-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide is COc1ccc(NC(=O)c2cnc(N3CCN(C)CC3)nc2C)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is AIFVUFJUEXYSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13-16(17(24)21-14-4-6-15(25-3)7-5-14)12-19-18(20-13)23-10-8-22(2)9-11-23/h4-7,12H,8-11H2,1-3H3,(H,21,24).
What are the key properties of N-(4-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide?
N-(4-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 46345578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).