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

C18H23N5O — CID 112882740

IUPAC4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1nccc(N2CCN(c3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C18H23N5O/c1-3-9-19-18-20-10-8-17(21-18)23-13-11-22(12-14-23)15-4-6-16(24-2)7-5-15/h3-8,10H,1,9,11-14H2,2H3,(H,19,20,21)
InChIKeyUWVZVCJRUDAPPT-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.41
Rot. Bonds6

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

4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidin-2-amine (PubChem CID 112882740) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidin-2-amine
PubChem CID112882740
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1nccc(N2CCN(c3ccc(OC)cc3)CC2)n1
InChIInChI=1S/C18H23N5O/c1-3-9-19-18-20-10-8-17(21-18)23-13-11-22(12-14-23)15-4-6-16(24-2)7-5-15/h3-8,10H,1,9,11-14H2,2H3,(H,19,20,21)
InChIKeyUWVZVCJRUDAPPT-UHFFFAOYSA-N
XLogP2.41
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine
CID 112900262
4-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 112882670
N-cyclopentyl-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112884384
4-(4-methylpiperidin-1-yl)-N-prop-2-enylpyrimidin-2-amine
CID 112882660
4-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]pyrimidin-2-amine
CID 112892567
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methoxyethyl)pyrimidin-2-amine
CID 112885883
N-[2-(4-methoxyphenyl)ethyl]-4-morpholin-4-ylpyrimidin-2-amine
CID 112886390
N-(3,4-difluorophenyl)-4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-amine
CID 112901714
N',N'-dimethyl-N-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]ethane-1,2-diamine
CID 112887151
2-[[4-[4-(4-methoxyphenyl)piperazin-1-yl]pyrimidin-2-yl]amino]benzonitrile
CID 112901710
4-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883380
ethyl 4-[2-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]piperazine-1-carboxylate
CID 112895472

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidin-2-amine?
The IUPAC name of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidin-2-amine (CID 112882740) is 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidin-2-amine is C=CCNc1nccc(N2CCN(c3ccc(OC)cc3)CC2)n1.
What is the InChIKey of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidin-2-amine?
The InChIKey is UWVZVCJRUDAPPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-3-9-19-18-20-10-8-17(21-18)23-13-11-22(12-14-23)15-4-6-16(24-2)7-5-15/h3-8,10H,1,9,11-14H2,2H3,(H,19,20,21).
What are the key properties of 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidin-2-amine?
4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidin-2-amine has a molecular weight of 325.42 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methoxyphenyl)piperazin-1-yl]-N-prop-2-enylpyrimidin-2-amine is sourced from PubChem (CID 112882740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).