[5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol

C15H26N4O — CID 63635364

IUPAC[5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCCN1CCN(c2cnc(C(C)C)nc2CO)CC1C
InChIInChI=1S/C15H26N4O/c1-5-18-6-7-19(9-12(18)4)14-8-16-15(11(2)3)17-13(14)10-20/h8,11-12,20H,5-7,9-10H2,1-4H3
InChIKeyXIDFACKRPWWYSZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP1.62
Rot. Bonds4

About [5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol

[5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol (PubChem CID 63635364) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is [5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol
PubChem CID63635364
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name[5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol
SMILESCCN1CCN(c2cnc(C(C)C)nc2CO)CC1C
InChIInChI=1S/C15H26N4O/c1-5-18-6-7-19(9-12(18)4)14-8-16-15(11(2)3)17-13(14)10-20/h8,11-12,20H,5-7,9-10H2,1-4H3
InChIKeyXIDFACKRPWWYSZ-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol?
The IUPAC name of [5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol (CID 63635364) is [5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol.
What is the SMILES notation for [5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol?
The canonical SMILES for [5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol is CCN1CCN(c2cnc(C(C)C)nc2CO)CC1C.
What is the InChIKey of [5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol?
The InChIKey is XIDFACKRPWWYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-5-18-6-7-19(9-12(18)4)14-8-16-15(11(2)3)17-13(14)10-20/h8,11-12,20H,5-7,9-10H2,1-4H3.
What are the key properties of [5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol?
[5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol has a molecular weight of 278.40 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-ethyl-3-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanol is sourced from PubChem (CID 63635364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).