N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C19H31N5 — CID 110915187

IUPACN-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCc1cccc(N2CCN(CCCCNC3=NCCCN3)CC2)c1
InChIInChI=1S/C19H31N5/c1-17-6-4-7-18(16-17)24-14-12-23(13-15-24)11-3-2-8-20-19-21-9-5-10-22-19/h4,6-7,16H,2-3,5,8-15H2,1H3,(H2,20,21,22)
InChIKeyYKXCLETXJSTNLJ-UHFFFAOYSA-N
MW329.49 g/mol
LogP1.84
Rot. Bonds6

About N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 110915187) has the molecular formula C19H31N5 and a molecular weight of 329.49 g/mol. Its IUPAC name is N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID110915187
Molecular FormulaC19H31N5
Molecular Weight329.49 g/mol
Exact Mass329.26
IUPAC NameN-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCc1cccc(N2CCN(CCCCNC3=NCCCN3)CC2)c1
InChIInChI=1S/C19H31N5/c1-17-6-4-7-18(16-17)24-14-12-23(13-15-24)11-3-2-8-20-19-21-9-5-10-22-19/h4,6-7,16H,2-3,5,8-15H2,1H3,(H2,20,21,22)
InChIKeyYKXCLETXJSTNLJ-UHFFFAOYSA-N
XLogP1.84
TPSA42.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]butyl]-1,4,5,6-tetrahydropyrimidin-2-amine;hydroiodide
CID 110925323
4-[4-(3-methylphenyl)piperazin-1-yl]-N-propan-2-ylbutan-1-amine
CID 60851356
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]propane-1-sulfonamide
CID 60580865
N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]pentan-1-amine
CID 62573588
1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine
CID 62479760
2,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]benzamide
CID 86981700
2-methyl-1-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]guanidine;hydroiodide
CID 75532336
1-(3-methylphenyl)-4-propylpiperazine
CID 44570658
N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]cyclobutanecarboxamide
CID 38440971
N',N'-dimethyl-N-[2-[4-(3-methylphenyl)piperazin-1-yl]ethyl]ethane-1,2-diamine
CID 62573769
methane;N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]quinoline-2-carboxamide
CID 161383648
3,5-dimethyl-N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]adamantane-1-carboxamide
CID 112821786

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 110915187) is N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4,5,6-tetrahydropyrimidin-2-amine is Cc1cccc(N2CCN(CCCCNC3=NCCCN3)CC2)c1.
What is the InChIKey of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is YKXCLETXJSTNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5/c1-17-6-4-7-18(16-17)24-14-12-23(13-15-24)11-3-2-8-20-19-21-9-5-10-22-19/h4,6-7,16H,2-3,5,8-15H2,1H3,(H2,20,21,22).
What are the key properties of N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 329.49 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(3-methylphenyl)piperazin-1-yl]butyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 110915187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).