ethene;2-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol

C15H26N4O — CID 144625270

IUPACethene;2-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESC=C.CCc1cc(N2CCN(CCO)CC2)nc(C)n1
InChIInChI=1S/C13H22N4O.C2H4/c1-3-12-10-13(15-11(2)14-12)17-6-4-16(5-7-17)8-9-18;1-2/h10,18H,3-9H2,1-2H3;1-2H2
InChIKeyNHEWXNBNGKUEHN-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.26
Rot. Bonds4

About ethene;2-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol

ethene;2-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol (PubChem CID 144625270) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is ethene;2-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol.

Molecular Properties

Compound Nameethene;2-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
PubChem CID144625270
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Nameethene;2-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol
SMILESC=C.CCc1cc(N2CCN(CCO)CC2)nc(C)n1
InChIInChI=1S/C13H22N4O.C2H4/c1-3-12-10-13(15-11(2)14-12)17-6-4-16(5-7-17)8-9-18;1-2/h10,18H,3-9H2,1-2H3;1-2H2
InChIKeyNHEWXNBNGKUEHN-UHFFFAOYSA-N
XLogP1.26
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 51.26
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

4-ethyl-2-methyl-6-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
CID 133460505
4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 154882608
4-ethyl-6-[4-(4-fluorophenyl)piperazin-1-yl]-2-methylpyrimidine
CID 163344141
2-[4-(2-methyl-6-pyridin-2-ylpyrimidin-4-yl)piperazin-1-yl]ethanol
CID 4178655
2-[4-[6-methyl-2-(methylamino)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 80780137
N-[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]-N'-[(1E)-3-methoxy-2-methylbuta-1,3-dienyl]ethanimidamide
CID 118687413
2-[4-[6-[1-[2-(2,4-dimethylpenta-1,3-dien-3-ylamino)pent-1-en-3-ylsulfanyl]ethenylamino]-2-methylpyrimidin-4-yl]piperazin-1-yl]ethanol
CID 146563735
2-[4-[6-(hydroxymethyl)pyrazin-2-yl]piperazin-1-yl]ethanol
CID 66465464
4-[4-(ethoxymethyl)piperidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133460751
(3R)-1-(6-ethyl-2-methylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 97055767
2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 89258443
2-[4-(6-ethyl-2-methylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 6484478

Frequently Asked Questions

What is the IUPAC name of ethene;2-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The IUPAC name of ethene;2-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol (CID 144625270) is ethene;2-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol.
What is the SMILES notation for ethene;2-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The canonical SMILES for ethene;2-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol is C=C.CCc1cc(N2CCN(CCO)CC2)nc(C)n1.
What is the InChIKey of ethene;2-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol?
The InChIKey is NHEWXNBNGKUEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O.C2H4/c1-3-12-10-13(15-11(2)14-12)17-6-4-16(5-7-17)8-9-18;1-2/h10,18H,3-9H2,1-2H3;1-2H2.
What are the key properties of ethene;2-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol?
ethene;2-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol has a molecular weight of 278.40 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-[4-(6-ethyl-2-methylpyrimidin-4-yl)piperazin-1-yl]ethanol is sourced from PubChem (CID 144625270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).