(4Z)-N-[2-[2-(4-cyclobutylpiperazin-1-yl)-5-ethylpyrimidin-4-yl]ethyl]-4-methylhexa-1,4-dien-2-amine

C23H37N5 — CID 143595567

IUPAC(4Z)-N-[2-[2-(4-cyclobutylpiperazin-1-yl)-5-ethylpyrimidin-4-yl]ethyl]-4-methylhexa-1,4-dien-2-amine
SMILESC=C(C/C(C)=C\C)NCCc1nc(N2CCN(C3CCC3)CC2)ncc1CC
InChIInChI=1S/C23H37N5/c1-5-18(3)16-19(4)24-11-10-22-20(6-2)17-25-23(26-22)28-14-12-27(13-15-28)21-8-7-9-21/h5,17,21,24H,4,6-16H2,1-3H3/b18-5-
InChIKeyJSSXRZCRLBZURW-DVZOWYKESA-N
MW383.58 g/mol
LogP3.72
Rot. Bonds9

About (4Z)-N-[2-[2-(4-cyclobutylpiperazin-1-yl)-5-ethylpyrimidin-4-yl]ethyl]-4-methylhexa-1,4-dien-2-amine

(4Z)-N-[2-[2-(4-cyclobutylpiperazin-1-yl)-5-ethylpyrimidin-4-yl]ethyl]-4-methylhexa-1,4-dien-2-amine (PubChem CID 143595567) has the molecular formula C23H37N5 and a molecular weight of 383.58 g/mol. Its IUPAC name is (4Z)-N-[2-[2-(4-cyclobutylpiperazin-1-yl)-5-ethylpyrimidin-4-yl]ethyl]-4-methylhexa-1,4-dien-2-amine.

Molecular Properties

Compound Name(4Z)-N-[2-[2-(4-cyclobutylpiperazin-1-yl)-5-ethylpyrimidin-4-yl]ethyl]-4-methylhexa-1,4-dien-2-amine
PubChem CID143595567
Molecular FormulaC23H37N5
Molecular Weight383.58 g/mol
Exact Mass383.30
IUPAC Name(4Z)-N-[2-[2-(4-cyclobutylpiperazin-1-yl)-5-ethylpyrimidin-4-yl]ethyl]-4-methylhexa-1,4-dien-2-amine
SMILESC=C(C/C(C)=C\C)NCCc1nc(N2CCN(C3CCC3)CC2)ncc1CC
InChIInChI=1S/C23H37N5/c1-5-18(3)16-19(4)24-11-10-22-20(6-2)17-25-23(26-22)28-14-12-27(13-15-28)21-8-7-9-21/h5,17,21,24H,4,6-16H2,1-3H3/b18-5-
InChIKeyJSSXRZCRLBZURW-DVZOWYKESA-N
XLogP3.72
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.58
LogP ≤ 53.72
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

N-[2-[2-(4-cyclobutylpiperazin-1-yl)-5-ethylpyrimidin-4-yl]ethyl]-N,2-dimethylbut-3-en-1-amine;methanol;N-pentylethanimine
CID 143595564
acetylene;(E)-2-chlorobut-2-ene;chloromethane;(E)-1-[2-(4-cyclobutylpiperazin-1-yl)-6,8,9,10-tetrahydro-5H-pyrimido[5,4-d]azocin-7-yl]-3-methylpent-3-en-1-one
CID 143595470
[1-(5-ethyl-4-propylpyrimidin-2-yl)piperidin-3-yl]methanamine
CID 103278793
1-[2-(4-cyclopropylpiperazin-1-yl)-4-methylpyrimidin-5-yl]-N-methylmethanamine
CID 83186326
2-(4-cyclobutylpiperazin-1-yl)-7-ethenyl-6,8,9,10-tetrahydro-5H-pyrimido[5,4-d]azocine;(3Z)-hexa-1,3-diene;prop-1-ene
CID 143595631
[2-(4-cyclopropylpiperazin-1-yl)pyrimidin-5-yl] acetate
CID 175262489
5-ethyl-2-[4-[(3E,5E,7Z)-6-ethyl-5-methoxy-3-methylnona-3,5,7-trien-2-yl]piperazin-1-yl]-4-[(3R)-3-methylpentyl]pyrimidine
CID 170047957
7-butyl-2-(4-cyclobutylpiperazin-1-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 59670016
N-methyl-1-(2-piperidin-1-yl-4-propylpyrimidin-5-yl)methanamine
CID 114206595
1-[2-(4-cyclobutylpiperazin-1-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-3-methoxypropan-1-one
CID 59670065
2-(4-cyclobutylpiperazin-1-yl)-7-[(Z)-pent-3-enyl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepine
CID 143595355
[2-(4-cyclobutylpiperazin-1-yl)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]-(5-ethylthiophen-2-yl)methanone
CID 59670004

Frequently Asked Questions

What is the IUPAC name of (4Z)-N-[2-[2-(4-cyclobutylpiperazin-1-yl)-5-ethylpyrimidin-4-yl]ethyl]-4-methylhexa-1,4-dien-2-amine?
The IUPAC name of (4Z)-N-[2-[2-(4-cyclobutylpiperazin-1-yl)-5-ethylpyrimidin-4-yl]ethyl]-4-methylhexa-1,4-dien-2-amine (CID 143595567) is (4Z)-N-[2-[2-(4-cyclobutylpiperazin-1-yl)-5-ethylpyrimidin-4-yl]ethyl]-4-methylhexa-1,4-dien-2-amine.
What is the SMILES notation for (4Z)-N-[2-[2-(4-cyclobutylpiperazin-1-yl)-5-ethylpyrimidin-4-yl]ethyl]-4-methylhexa-1,4-dien-2-amine?
The canonical SMILES for (4Z)-N-[2-[2-(4-cyclobutylpiperazin-1-yl)-5-ethylpyrimidin-4-yl]ethyl]-4-methylhexa-1,4-dien-2-amine is C=C(C/C(C)=C\C)NCCc1nc(N2CCN(C3CCC3)CC2)ncc1CC.
What is the InChIKey of (4Z)-N-[2-[2-(4-cyclobutylpiperazin-1-yl)-5-ethylpyrimidin-4-yl]ethyl]-4-methylhexa-1,4-dien-2-amine?
The InChIKey is JSSXRZCRLBZURW-DVZOWYKESA-N. The full InChI is InChI=1S/C23H37N5/c1-5-18(3)16-19(4)24-11-10-22-20(6-2)17-25-23(26-22)28-14-12-27(13-15-28)21-8-7-9-21/h5,17,21,24H,4,6-16H2,1-3H3/b18-5-.
What are the key properties of (4Z)-N-[2-[2-(4-cyclobutylpiperazin-1-yl)-5-ethylpyrimidin-4-yl]ethyl]-4-methylhexa-1,4-dien-2-amine?
(4Z)-N-[2-[2-(4-cyclobutylpiperazin-1-yl)-5-ethylpyrimidin-4-yl]ethyl]-4-methylhexa-1,4-dien-2-amine has a molecular weight of 383.58 g/mol, XLogP of 3.72, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-N-[2-[2-(4-cyclobutylpiperazin-1-yl)-5-ethylpyrimidin-4-yl]ethyl]-4-methylhexa-1,4-dien-2-amine is sourced from PubChem (CID 143595567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).