N-butyl-N,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine

C23H33N5 — CID 112923726

IUPACN-butyl-N,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCCCCN(C)c1nc(C)cc(N2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C23H33N5/c1-4-5-13-26(3)23-24-20(2)19-22(25-23)28-17-15-27(16-18-28)14-9-12-21-10-7-6-8-11-21/h6-12,19H,4-5,13-18H2,1-3H3/b12-9+
InChIKeyMFYCWMCZUFGCMO-FMIVXFBMSA-N
MW379.55 g/mol
LogP3.86
Rot. Bonds8

About N-butyl-N,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine

N-butyl-N,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 112923726) has the molecular formula C23H33N5 and a molecular weight of 379.55 g/mol. Its IUPAC name is N-butyl-N,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-N,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID112923726
Molecular FormulaC23H33N5
Molecular Weight379.55 g/mol
Exact Mass379.27
IUPAC NameN-butyl-N,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCCCCN(C)c1nc(C)cc(N2CCN(C/C=C/c3ccccc3)CC2)n1
InChIInChI=1S/C23H33N5/c1-4-5-13-26(3)23-24-20(2)19-22(25-23)28-17-15-27(16-18-28)14-9-12-21-10-7-6-8-11-21/h6-12,19H,4-5,13-18H2,1-3H3/b12-9+
InChIKeyMFYCWMCZUFGCMO-FMIVXFBMSA-N
XLogP3.86
TPSA35.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N,N-dipropylpyrimidin-4-amine
CID 112923742
N-cyclopropyl-4-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112907586
N-benzyl-4-(4-ethylpiperazin-1-yl)-N,6-dimethylpyrimidin-2-amine
CID 112914136
N-butyl-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,6-dimethylpyrimidin-2-amine
CID 112922847
N-butyl-N-methyl-4-phenyl-6-pyrrolidin-1-ylpyrimidin-2-amine
CID 112934134
2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
CID 51308937
[5-[butyl(methyl)amino]-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109238542
[2-[butyl(methyl)amino]-4-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109174503
6-methyl-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-prop-2-enylpyrimidin-4-amine
CID 112907751
1-hexyl-4-(3-phenylprop-2-enyl)piperazine
CID 71410335
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

Frequently Asked Questions

What is the IUPAC name of N-butyl-N,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-butyl-N,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine (CID 112923726) is N-butyl-N,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-butyl-N,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-butyl-N,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine is CCCCN(C)c1nc(C)cc(N2CCN(C/C=C/c3ccccc3)CC2)n1.
What is the InChIKey of N-butyl-N,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is MFYCWMCZUFGCMO-FMIVXFBMSA-N. The full InChI is InChI=1S/C23H33N5/c1-4-5-13-26(3)23-24-20(2)19-22(25-23)28-17-15-27(16-18-28)14-9-12-21-10-7-6-8-11-21/h6-12,19H,4-5,13-18H2,1-3H3/b12-9+.
What are the key properties of N-butyl-N,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine?
N-butyl-N,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 379.55 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 112923726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).