(2R)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]hex-5-en-2-ol

C15H24N4O — CID 124616946

IUPAC(2R)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]hex-5-en-2-ol
SMILESC=CCC[C@@H](O)CN1CCN(c2ccnc(C)n2)CC1
InChIInChI=1S/C15H24N4O/c1-3-4-5-14(20)12-18-8-10-19(11-9-18)15-6-7-16-13(2)17-15/h3,6-7,14,20H,1,4-5,8-12H2,2H3/t14-/m1/s1
InChIKeyDLIHIZLJBQXWQL-CQSZACIVSA-N
MW276.38 g/mol
LogP1.23
Rot. Bonds6

About (2R)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]hex-5-en-2-ol

(2R)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]hex-5-en-2-ol (PubChem CID 124616946) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is (2R)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]hex-5-en-2-ol.

Molecular Properties

Compound Name(2R)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]hex-5-en-2-ol
PubChem CID124616946
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name(2R)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]hex-5-en-2-ol
SMILESC=CCC[C@@H](O)CN1CCN(c2ccnc(C)n2)CC1
InChIInChI=1S/C15H24N4O/c1-3-4-5-14(20)12-18-8-10-19(11-9-18)15-6-7-16-13(2)17-15/h3,6-7,14,20H,1,4-5,8-12H2,2H3/t14-/m1/s1
InChIKeyDLIHIZLJBQXWQL-CQSZACIVSA-N
XLogP1.23
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.23
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

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4-[4-(2-chloroethyl)piperazin-1-yl]-2-methylpyrimidine
CID 63392077
(2S)-1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]hex-5-en-2-ol
CID 93226305
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CID 111442513
1-[4-(2-methoxyphenyl)piperazin-1-yl]hex-5-en-2-ol
CID 3750873
1-[4-[2,6-dimethyl-5-[(3-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]hex-5-en-2-ol
CID 42682772
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CID 93226005
(2R)-1-[4-[5-[(3-fluorophenyl)methyl]-2,6-dimethylpyrimidin-4-yl]piperazin-1-yl]hex-5-en-2-ol
CID 93226004
2-methyl-4-[4-(2-phenylethyl)piperazin-1-yl]pyrimidine
CID 171335725
1-[4-[4-(2-methylpropyl)piperazin-1-yl]pyrimidin-2-yl]ethanol
CID 90916352
1-(2-methylpyrimidin-4-yl)azepane
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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]hex-5-en-2-ol?
The IUPAC name of (2R)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]hex-5-en-2-ol (CID 124616946) is (2R)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]hex-5-en-2-ol.
What is the SMILES notation for (2R)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]hex-5-en-2-ol?
The canonical SMILES for (2R)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]hex-5-en-2-ol is C=CCC[C@@H](O)CN1CCN(c2ccnc(C)n2)CC1.
What is the InChIKey of (2R)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]hex-5-en-2-ol?
The InChIKey is DLIHIZLJBQXWQL-CQSZACIVSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-4-5-14(20)12-18-8-10-19(11-9-18)15-6-7-16-13(2)17-15/h3,6-7,14,20H,1,4-5,8-12H2,2H3/t14-/m1/s1.
What are the key properties of (2R)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]hex-5-en-2-ol?
(2R)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]hex-5-en-2-ol has a molecular weight of 276.38 g/mol, XLogP of 1.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]hex-5-en-2-ol is sourced from PubChem (CID 124616946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).