6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide

C21H29N5O3 — CID 109365209

IUPAC6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(N2CCN(c3ccccc3OC)CC2)nc(C)n1
InChIInChI=1S/C21H29N5O3/c1-16-23-17(21(27)22-9-6-14-28-2)15-20(24-16)26-12-10-25(11-13-26)18-7-4-5-8-19(18)29-3/h4-5,7-8,15H,6,9-14H2,1-3H3,(H,22,27)
InChIKeySKLPYSKSERKHIH-UHFFFAOYSA-N
MW399.50 g/mol
LogP1.89
Rot. Bonds8

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

6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide (PubChem CID 109365209) has the molecular formula C21H29N5O3 and a molecular weight of 399.50 g/mol. Its IUPAC name is 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
PubChem CID109365209
Molecular FormulaC21H29N5O3
Molecular Weight399.50 g/mol
Exact Mass399.23
IUPAC Name6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(N2CCN(c3ccccc3OC)CC2)nc(C)n1
InChIInChI=1S/C21H29N5O3/c1-16-23-17(21(27)22-9-6-14-28-2)15-20(24-16)26-12-10-25(11-13-26)18-7-4-5-8-19(18)29-3/h4-5,7-8,15H,6,9-14H2,1-3H3,(H,22,27)
InChIKeySKLPYSKSERKHIH-UHFFFAOYSA-N
XLogP1.89
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(4-ethylpiperazin-1-yl)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109365167
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(3-methoxypropylamino)-2-methylpyrimidin-4-yl]methanone
CID 109365036
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109184245
N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide
CID 109323722
N-(2-methoxyethyl)-2-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109364861
N-(2-methoxyethyl)-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109364810
N-butyl-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109361785
N-(2-methoxyethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109364854
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide
CID 109216074
5-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrazine-2-carboxamide
CID 109286431
N-[(2-methoxyphenyl)methyl]-2-methyl-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109365354
2-methyl-N-(3-phenylpropyl)-6-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109362757

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide (CID 109365209) is 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide is COCCCNC(=O)c1cc(N2CCN(c3ccccc3OC)CC2)nc(C)n1.
What is the InChIKey of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide?
The InChIKey is SKLPYSKSERKHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O3/c1-16-23-17(21(27)22-9-6-14-28-2)15-20(24-16)26-12-10-25(11-13-26)18-7-4-5-8-19(18)29-3/h4-5,7-8,15H,6,9-14H2,1-3H3,(H,22,27).
What are the key properties of 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide?
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide has a molecular weight of 399.50 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109365209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).