6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylpyrimidin-4-amine

C24H35N5 — CID 112923742

IUPAC6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylpyrimidin-4-amine
SMILESCCCN(CCC)c1cc(C)nc(N2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C24H35N5/c1-4-13-28(14-5-2)23-20-21(3)25-24(26-23)29-18-16-27(17-19-29)15-9-12-22-10-7-6-8-11-22/h6-12,20H,4-5,13-19H2,1-3H3/b12-9+
InChIKeyPDWXSSZZLWWFRZ-FMIVXFBMSA-N
MW393.58 g/mol
LogP4.25
Rot. Bonds9

About 6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylpyrimidin-4-amine

6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylpyrimidin-4-amine (PubChem CID 112923742) has the molecular formula C24H35N5 and a molecular weight of 393.58 g/mol. Its IUPAC name is 6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylpyrimidin-4-amine
PubChem CID112923742
Molecular FormulaC24H35N5
Molecular Weight393.58 g/mol
Exact Mass393.29
IUPAC Name6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylpyrimidin-4-amine
SMILESCCCN(CCC)c1cc(C)nc(N2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C24H35N5/c1-4-13-28(14-5-2)23-20-21(3)25-24(26-23)29-18-16-27(17-19-29)15-9-12-22-10-7-6-8-11-22/h6-12,20H,4-5,13-19H2,1-3H3/b12-9+
InChIKeyPDWXSSZZLWWFRZ-FMIVXFBMSA-N
XLogP4.25
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.58
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylpyrimidin-4-amine with MolForge

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Related Compounds

N-butyl-N,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112923726
6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enylpyrimidin-4-amine
CID 112907751
(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109321596
N-cyclopropyl-4-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112907586
N-benzyl-N-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 112890827
2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
CID 112888421
2-(4-benzylpiperazin-1-yl)-N-butyl-N,6-dimethylpyrimidin-4-amine
CID 112922133
3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]-1H-1,2,4-triazol-5-amine
CID 54155520
N,N-diethyl-6-methyl-2-[4-(3-methylphenyl)piperazin-1-yl]pyrimidin-4-amine
CID 112923477
2-(azepan-1-yl)-N-benzyl-N-ethyl-6-methylpyrimidin-4-amine
CID 112918906
1-[(3-methylphenyl)methyl]-4-[(E)-3-phenylprop-2-enyl]piperazine
CID 1376911
N,N-dimethyl-4-[(E)-3-(4-pyrimidin-2-ylpiperazin-1-yl)prop-1-enyl]aniline
CID 30981978

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylpyrimidin-4-amine?
The IUPAC name of 6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylpyrimidin-4-amine (CID 112923742) is 6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylpyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylpyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylpyrimidin-4-amine is CCCN(CCC)c1cc(C)nc(N2CCN(C/C=C/c3ccccc3)CC2)n1.
What is the InChIKey of 6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylpyrimidin-4-amine?
The InChIKey is PDWXSSZZLWWFRZ-FMIVXFBMSA-N. The full InChI is InChI=1S/C24H35N5/c1-4-13-28(14-5-2)23-20-21(3)25-24(26-23)29-18-16-27(17-19-29)15-9-12-22-10-7-6-8-11-22/h6-12,20H,4-5,13-19H2,1-3H3/b12-9+.
What are the key properties of 6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylpyrimidin-4-amine?
6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylpyrimidin-4-amine has a molecular weight of 393.58 g/mol, XLogP of 4.25, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylpyrimidin-4-amine is sourced from PubChem (CID 112923742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).