2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide

C20H27N5O2 — CID 109319143

IUPAC2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(C)nc(N2CCN(c3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C20H27N5O2/c1-4-9-21-19(26)18-14-15(2)22-20(23-18)25-12-10-24(11-13-25)16-5-7-17(27-3)8-6-16/h5-8,14H,4,9-13H2,1-3H3,(H,21,26)
InChIKeyHQFJULVQAILALS-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.26
Rot. Bonds6

About 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide

2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide (PubChem CID 109319143) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide
PubChem CID109319143
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(C)nc(N2CCN(c3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C20H27N5O2/c1-4-9-21-19(26)18-14-15(2)22-20(23-18)25-12-10-24(11-13-25)16-5-7-17(27-3)8-6-16/h5-8,14H,4,9-13H2,1-3H3,(H,21,26)
InChIKeyHQFJULVQAILALS-UHFFFAOYSA-N
XLogP2.26
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319108
N-tert-butyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide
CID 109332737
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321602
2-(4-ethylpiperazin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109326101
N-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109320621
N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109324073
[4-(4-methoxyphenyl)piperazin-1-yl]-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318950
N-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109327232
N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide
CID 109323722
4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methoxypropyl)pyridine-2-carboxamide
CID 109206099
2-(4-ethylpiperazin-1-yl)-6-methyl-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109326029
2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-propylpropanamide
CID 51242874

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide (CID 109319143) is 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(C)nc(N2CCN(c3ccc(OC)cc3)CC2)n1.
What is the InChIKey of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide?
The InChIKey is HQFJULVQAILALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-4-9-21-19(26)18-14-15(2)22-20(23-18)25-12-10-24(11-13-25)16-5-7-17(27-3)8-6-16/h5-8,14H,4,9-13H2,1-3H3,(H,21,26).
What are the key properties of 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide?
2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 2.26, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109319143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).