2-(4-benzylpiperazin-1-yl)-6-methyl-N-prop-2-enylpyrimidin-4-amine

C19H25N5 — CID 112907733

IUPAC2-(4-benzylpiperazin-1-yl)-6-methyl-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(C)nc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H25N5/c1-3-9-20-18-14-16(2)21-19(22-18)24-12-10-23(11-13-24)15-17-7-5-4-6-8-17/h3-8,14H,1,9-13,15H2,2H3,(H,20,21,22)
InChIKeyYIBPXMULUCSDKF-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.71
Rot. Bonds6

About 2-(4-benzylpiperazin-1-yl)-6-methyl-N-prop-2-enylpyrimidin-4-amine

2-(4-benzylpiperazin-1-yl)-6-methyl-N-prop-2-enylpyrimidin-4-amine (PubChem CID 112907733) has the molecular formula C19H25N5 and a molecular weight of 323.44 g/mol. Its IUPAC name is 2-(4-benzylpiperazin-1-yl)-6-methyl-N-prop-2-enylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-benzylpiperazin-1-yl)-6-methyl-N-prop-2-enylpyrimidin-4-amine
PubChem CID112907733
Molecular FormulaC19H25N5
Molecular Weight323.44 g/mol
Exact Mass323.21
IUPAC Name2-(4-benzylpiperazin-1-yl)-6-methyl-N-prop-2-enylpyrimidin-4-amine
SMILESC=CCNc1cc(C)nc(N2CCN(Cc3ccccc3)CC2)n1
InChIInChI=1S/C19H25N5/c1-3-9-20-18-14-16(2)21-19(22-18)24-12-10-23(11-13-24)15-17-7-5-4-6-8-17/h3-8,14H,1,9-13,15H2,2H3,(H,20,21,22)
InChIKeyYIBPXMULUCSDKF-UHFFFAOYSA-N
XLogP2.71
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzylpiperazin-1-yl)-6-methyl-N-propylpyrimidin-4-amine
CID 112906857
6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enylpyrimidin-4-amine
CID 112907751
2-(4-benzylpiperazin-1-yl)-N-(2-methoxyethyl)-6-methylpyrimidin-4-amine
CID 112911357
2-(4-benzylpiperazin-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-4-amine
CID 112922149
1-[4-[4-methyl-6-(prop-2-enylamino)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 112907704
2,4,6-tris(4-benzylpiperazin-1-yl)-1,3,5-triazine
CID 3393793
1-[2-(4-benzylpiperazin-1-yl)-6-methylpyrimidin-4-yl]azepane
CID 112922137
(6S)-1-benzyl-4-[4-methyl-6-(methylamino)pyrimidin-2-yl]-1,4-diazepan-6-ol
CID 97278299
6-methyl-N-(2-phenylethyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidin-4-amine
CID 112920054
2-(4-benzylpiperazin-1-yl)-N-butyl-N,6-dimethylpyrimidin-4-amine
CID 112922133
2-(4-benzylpiperazin-1-yl)-4-N,4-N-dimethyl-6-N-(3-methylpenta-2,4-dien-2-yl)pyrimidine-4,6-diamine
CID 142861847
ethyl 2-(4-benzylpiperazin-1-yl)-6-methylpyrimidine-4-carboxylate
CID 17067460

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzylpiperazin-1-yl)-6-methyl-N-prop-2-enylpyrimidin-4-amine?
The IUPAC name of 2-(4-benzylpiperazin-1-yl)-6-methyl-N-prop-2-enylpyrimidin-4-amine (CID 112907733) is 2-(4-benzylpiperazin-1-yl)-6-methyl-N-prop-2-enylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-benzylpiperazin-1-yl)-6-methyl-N-prop-2-enylpyrimidin-4-amine?
The canonical SMILES for 2-(4-benzylpiperazin-1-yl)-6-methyl-N-prop-2-enylpyrimidin-4-amine is C=CCNc1cc(C)nc(N2CCN(Cc3ccccc3)CC2)n1.
What is the InChIKey of 2-(4-benzylpiperazin-1-yl)-6-methyl-N-prop-2-enylpyrimidin-4-amine?
The InChIKey is YIBPXMULUCSDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5/c1-3-9-20-18-14-16(2)21-19(22-18)24-12-10-23(11-13-24)15-17-7-5-4-6-8-17/h3-8,14H,1,9-13,15H2,2H3,(H,20,21,22).
What are the key properties of 2-(4-benzylpiperazin-1-yl)-6-methyl-N-prop-2-enylpyrimidin-4-amine?
2-(4-benzylpiperazin-1-yl)-6-methyl-N-prop-2-enylpyrimidin-4-amine has a molecular weight of 323.44 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzylpiperazin-1-yl)-6-methyl-N-prop-2-enylpyrimidin-4-amine is sourced from PubChem (CID 112907733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).