2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxy-N-propylpyrimidine-5-carboxamide

C20H26ClN5O3 — CID 46037159

IUPAC2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxy-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(N2CCN(c3cc(Cl)ccc3OC)CC2)nc1OC
InChIInChI=1S/C20H26ClN5O3/c1-4-7-22-18(27)15-13-23-20(24-19(15)29-3)26-10-8-25(9-11-26)16-12-14(21)5-6-17(16)28-2/h5-6,12-13H,4,7-11H2,1-3H3,(H,22,27)
InChIKeyWUWIEHFVFHVUSZ-UHFFFAOYSA-N
MW419.91 g/mol
LogP2.61
Rot. Bonds7

About 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxy-N-propylpyrimidine-5-carboxamide

2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxy-N-propylpyrimidine-5-carboxamide (PubChem CID 46037159) has the molecular formula C20H26ClN5O3 and a molecular weight of 419.91 g/mol. Its IUPAC name is 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxy-N-propylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxy-N-propylpyrimidine-5-carboxamide
PubChem CID46037159
Molecular FormulaC20H26ClN5O3
Molecular Weight419.91 g/mol
Exact Mass419.17
IUPAC Name2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxy-N-propylpyrimidine-5-carboxamide
SMILESCCCNC(=O)c1cnc(N2CCN(c3cc(Cl)ccc3OC)CC2)nc1OC
InChIInChI=1S/C20H26ClN5O3/c1-4-7-22-18(27)15-13-23-20(24-19(15)29-3)26-10-8-25(9-11-26)16-12-14(21)5-6-17(16)28-2/h5-6,12-13H,4,7-11H2,1-3H3,(H,22,27)
InChIKeyWUWIEHFVFHVUSZ-UHFFFAOYSA-N
XLogP2.61
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.91
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 42847722
ethyl 1-[2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxypyrimidine-5-carbonyl]piperidine-3-carboxylate
CID 46037153
2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-N-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 42844021
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-cyclopropyl-4-methoxypyrimidine-5-carboxamide
CID 46037111
4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide
CID 42847732
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide
CID 42847745
4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 42847731
2-chloro-1-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]ethanone
CID 134069379
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 66505293
4-(5-chloro-2-methoxyphenyl)-N-(5-ethyl-2-methoxy-6-methyl-3-pyridinyl)piperazine-1-carboxamide
CID 18663114
4-(5-chloro-2-methoxyphenyl)-N-(3-methylbutyl)piperazine-1-carboxamide
CID 113110731
2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide
CID 46037141

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxy-N-propylpyrimidine-5-carboxamide?
The IUPAC name of 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxy-N-propylpyrimidine-5-carboxamide (CID 46037159) is 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxy-N-propylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxy-N-propylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxy-N-propylpyrimidine-5-carboxamide is CCCNC(=O)c1cnc(N2CCN(c3cc(Cl)ccc3OC)CC2)nc1OC.
What is the InChIKey of 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxy-N-propylpyrimidine-5-carboxamide?
The InChIKey is WUWIEHFVFHVUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN5O3/c1-4-7-22-18(27)15-13-23-20(24-19(15)29-3)26-10-8-25(9-11-26)16-12-14(21)5-6-17(16)28-2/h5-6,12-13H,4,7-11H2,1-3H3,(H,22,27).
What are the key properties of 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxy-N-propylpyrimidine-5-carboxamide?
2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxy-N-propylpyrimidine-5-carboxamide has a molecular weight of 419.91 g/mol, XLogP of 2.61, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxy-N-propylpyrimidine-5-carboxamide is sourced from PubChem (CID 46037159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).