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

C21H27N5 — CID 112907586

IUPACN-cyclopropyl-4-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(C/C=C/c3ccccc3)CC2)nc(NC2CC2)n1
InChIInChI=1S/C21H27N5/c1-17-16-20(24-21(22-17)23-19-9-10-19)26-14-12-25(13-15-26)11-5-8-18-6-3-2-4-7-18/h2-8,16,19H,9-15H2,1H3,(H,22,23,24)/b8-5+
InChIKeyBHQURCODOHOIAJ-VMPITWQZSA-N
MW349.48 g/mol
LogP3.19
Rot. Bonds6

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

N-cyclopropyl-4-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 112907586) has the molecular formula C21H27N5 and a molecular weight of 349.48 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID112907586
Molecular FormulaC21H27N5
Molecular Weight349.48 g/mol
Exact Mass349.23
IUPAC NameN-cyclopropyl-4-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCN(C/C=C/c3ccccc3)CC2)nc(NC2CC2)n1
InChIInChI=1S/C21H27N5/c1-17-16-20(24-21(22-17)23-19-9-10-19)26-14-12-25(13-15-26)11-5-8-18-6-3-2-4-7-18/h2-8,16,19H,9-15H2,1H3,(H,22,23,24)/b8-5+
InChIKeyBHQURCODOHOIAJ-VMPITWQZSA-N
XLogP3.19
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112884982
N-cyclopropyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112907588
N-butyl-N,4-dimethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112923726
N-cycloheptyl-4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112923831
N-(2-methoxyethyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112885899
N-cyclopropyl-4-[4-(4-fluorophenyl)piperazin-1-yl]-6-methylpyrimidin-2-amine
CID 112907570
N-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112898562
3-[2-methyl-6-[4-(3-phenylprop-2-enyl)piperazin-1-yl]pyrimidin-4-yl]cyclobutan-1-amine
CID 171134905
5-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propan-2-yl-1,2,4-triazin-3-amine
CID 112938955
[4-[2-(cyclohexylamino)-6-methylpyrimidin-4-yl]piperazin-1-yl]-phenylmethanone
CID 50946262
[2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109295584
2-methyl-N-(3-methylbutyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 112875456

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-4-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine (CID 112907586) is N-cyclopropyl-4-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-4-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine is Cc1cc(N2CCN(C/C=C/c3ccccc3)CC2)nc(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-4-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is BHQURCODOHOIAJ-VMPITWQZSA-N. The full InChI is InChI=1S/C21H27N5/c1-17-16-20(24-21(22-17)23-19-9-10-19)26-14-12-25(13-15-26)11-5-8-18-6-3-2-4-7-18/h2-8,16,19H,9-15H2,1H3,(H,22,23,24)/b8-5+.
What are the key properties of N-cyclopropyl-4-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine?
N-cyclopropyl-4-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 349.48 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 112907586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).