2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine

C20H29N5O — CID 112898256

IUPAC2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine
SMILESCCCCCNc1ccnc(N2CCN(c3ccccc3OC)CC2)n1
InChIInChI=1S/C20H29N5O/c1-3-4-7-11-21-19-10-12-22-20(23-19)25-15-13-24(14-16-25)17-8-5-6-9-18(17)26-2/h5-6,8-10,12H,3-4,7,11,13-16H2,1-2H3,(H,21,22,23)
InChIKeyJOZGZCIVEHWIGO-UHFFFAOYSA-N
MW355.49 g/mol
LogP3.41
Rot. Bonds8

About 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine (PubChem CID 112898256) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine
PubChem CID112898256
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine
SMILESCCCCCNc1ccnc(N2CCN(c3ccccc3OC)CC2)n1
InChIInChI=1S/C20H29N5O/c1-3-4-7-11-21-19-10-12-22-20(23-19)25-15-13-24(14-16-25)17-8-5-6-9-18(17)26-2/h5-6,8-10,12H,3-4,7,11,13-16H2,1-2H3,(H,21,22,23)
InChIKeyJOZGZCIVEHWIGO-UHFFFAOYSA-N
XLogP3.41
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 53.41
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

2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-phenylethyl)pyrimidin-4-amine
CID 112893947
N-tert-butyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112898253
N-cyclohexyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112884797
2-(azepan-1-yl)-N-[2-(2-methoxyphenyl)ethyl]pyrimidin-4-amine
CID 112894924
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(1-phenylethyl)pyrimidin-4-amine
CID 112890544
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-4-amine
CID 112885713
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112913469
2-[4-(2-methoxyphenyl)piperazin-1-yl]pyrimidine-4-carbonitrile
CID 163343712
4-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyridine-2-carboxamide
CID 109216074
N-(2-methoxyethyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4-amine
CID 112911371
N-[5-[4-(2-methoxyphenyl)piperazin-1-yl]pentyl]quinolin-2-amine
CID 24805876
[6-(butylamino)-2-methylpyrimidin-4-yl]-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 109361605

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine?
The IUPAC name of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine (CID 112898256) is 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine.
What is the SMILES notation for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine?
The canonical SMILES for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine is CCCCCNc1ccnc(N2CCN(c3ccccc3OC)CC2)n1.
What is the InChIKey of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine?
The InChIKey is JOZGZCIVEHWIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-3-4-7-11-21-19-10-12-22-20(23-19)25-15-13-24(14-16-25)17-8-5-6-9-18(17)26-2/h5-6,8-10,12H,3-4,7,11,13-16H2,1-2H3,(H,21,22,23).
What are the key properties of 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine?
2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine has a molecular weight of 355.49 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-pentylpyrimidin-4-amine is sourced from PubChem (CID 112898256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).