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

C23H31N5 — CID 112884982

IUPACN-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
SMILESC(=C/c1ccccc1)\CN1CCN(c2ccnc(NC3CCCCC3)n2)CC1
InChIInChI=1S/C23H31N5/c1-3-8-20(9-4-1)10-7-15-27-16-18-28(19-17-27)22-13-14-24-23(26-22)25-21-11-5-2-6-12-21/h1,3-4,7-10,13-14,21H,2,5-6,11-12,15-19H2,(H,24,25,26)/b10-7+
InChIKeyBAIRFTBOMFYCPI-JXMROGBWSA-N
MW377.54 g/mol
LogP4.06
Rot. Bonds6

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

N-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine (PubChem CID 112884982) has the molecular formula C23H31N5 and a molecular weight of 377.54 g/mol. Its IUPAC name is N-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
PubChem CID112884982
Molecular FormulaC23H31N5
Molecular Weight377.54 g/mol
Exact Mass377.26
IUPAC NameN-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
SMILESC(=C/c1ccccc1)\CN1CCN(c2ccnc(NC3CCCCC3)n2)CC1
InChIInChI=1S/C23H31N5/c1-3-8-20(9-4-1)10-7-15-27-16-18-28(19-17-27)22-13-14-24-23(26-22)25-21-11-5-2-6-12-21/h1,3-4,7-10,13-14,21H,2,5-6,11-12,15-19H2,(H,24,25,26)/b10-7+
InChIKeyBAIRFTBOMFYCPI-JXMROGBWSA-N
XLogP4.06
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.54
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-phenyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112898562
N-cyclopropyl-4-methyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112907586
N-(2-methoxyethyl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine
CID 112885899
N-cyclohexyl-4-(4-ethylpiperazin-1-yl)pyrimidin-2-amine
CID 112884933
[2-(cyclopropylamino)pyrimidin-4-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109295584
N-cycloheptyl-4-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-amine
CID 112898738
4-(4-benzylpiperazin-1-yl)-N-cyclopropylpyrimidin-2-amine
CID 112882378
2-[[4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-yl]amino]benzonitrile
CID 112898580
4-N,4-N-dimethyl-2-N-[1-[(E)-3-phenylprop-2-enyl]piperidin-3-yl]pyrimidine-2,4-diamine
CID 171998580
2-(4-ethylpiperazin-1-yl)-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine
CID 112888421
N-cyclohexyl-4-(4-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112884924
4-(azepan-1-yl)-N-[(3R)-1-(cyclohexylmethyl)pyrrolidin-3-yl]pyrimidin-2-amine
CID 66903182

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine?
The IUPAC name of N-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine (CID 112884982) is N-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for N-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine?
The canonical SMILES for N-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine is C(=C/c1ccccc1)\CN1CCN(c2ccnc(NC3CCCCC3)n2)CC1.
What is the InChIKey of N-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine?
The InChIKey is BAIRFTBOMFYCPI-JXMROGBWSA-N. The full InChI is InChI=1S/C23H31N5/c1-3-8-20(9-4-1)10-7-15-27-16-18-28(19-17-27)22-13-14-24-23(26-22)25-21-11-5-2-6-12-21/h1,3-4,7-10,13-14,21H,2,5-6,11-12,15-19H2,(H,24,25,26)/b10-7+.
What are the key properties of N-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine?
N-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine has a molecular weight of 377.54 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 112884982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).