N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide

C21H29N5O2 — CID 109324073

IUPACN-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(C)nc(N2CCN(c3cccc(C)c3)CC2)n1
InChIInChI=1S/C21H29N5O2/c1-16-6-4-7-18(14-16)25-9-11-26(12-10-25)21-23-17(2)15-19(24-21)20(27)22-8-5-13-28-3/h4,6-7,14-15H,5,8-13H2,1-3H3,(H,22,27)
InChIKeyQNWVXNFLRQFWEL-UHFFFAOYSA-N
MW383.50 g/mol
LogP2.19
Rot. Bonds7

About N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide

N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide (PubChem CID 109324073) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
PubChem CID109324073
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC NameN-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCOCCCNC(=O)c1cc(C)nc(N2CCN(c3cccc(C)c3)CC2)n1
InChIInChI=1S/C21H29N5O2/c1-16-6-4-7-18(14-16)25-9-11-26(12-10-25)21-23-17(2)15-19(24-21)20(27)22-8-5-13-28-3/h4,6-7,14-15H,5,8-13H2,1-3H3,(H,22,27)
InChIKeyQNWVXNFLRQFWEL-UHFFFAOYSA-N
XLogP2.19
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxypropyl)-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109300202
N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112911741
N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109082685
N-(2-methoxyethyl)-2-methyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide
CID 109364854
N-(3-methoxypropyl)-4-[4-(3-methylphenyl)piperazine-1-carbonyl]benzamide
CID 109045294
2-[4-(4-methoxyphenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319143
N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidine-4-carboxamide
CID 109323722
N-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109327232
[4-(3-methylphenyl)piperazin-1-yl]-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109322306
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109321602
N-butyl-6-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109320621
2-[4-(4-fluorophenyl)piperazin-1-yl]-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319108

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide (CID 109324073) is N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide is COCCCNC(=O)c1cc(C)nc(N2CCN(c3cccc(C)c3)CC2)n1.
What is the InChIKey of N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is QNWVXNFLRQFWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c1-16-6-4-7-18(14-16)25-9-11-26(12-10-25)21-23-17(2)15-19(24-21)20(27)22-8-5-13-28-3/h4,6-7,14-15H,5,8-13H2,1-3H3,(H,22,27).
What are the key properties of N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide?
N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 383.50 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109324073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).