2-[3-[[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol

C15H27N5O — CID 86285413

IUPAC2-[3-[[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol
SMILESCCc1c(C)nc(N)nc1NCC1CCCN(CCO)C1
InChIInChI=1S/C15H27N5O/c1-3-13-11(2)18-15(16)19-14(13)17-9-12-5-4-6-20(10-12)7-8-21/h12,21H,3-10H2,1-2H3,(H3,16,17,18,19)
InChIKeyLARUNIYMHMYCLF-UHFFFAOYSA-N
MW293.41 g/mol
LogP1.05
Rot. Bonds6

About 2-[3-[[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol

2-[3-[[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol (PubChem CID 86285413) has the molecular formula C15H27N5O and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-[3-[[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-[[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol
PubChem CID86285413
Molecular FormulaC15H27N5O
Molecular Weight293.41 g/mol
Exact Mass293.22
IUPAC Name2-[3-[[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol
SMILESCCc1c(C)nc(N)nc1NCC1CCCN(CCO)C1
InChIInChI=1S/C15H27N5O/c1-3-13-11(2)18-15(16)19-14(13)17-9-12-5-4-6-20(10-12)7-8-21/h12,21H,3-10H2,1-2H3,(H3,16,17,18,19)
InChIKeyLARUNIYMHMYCLF-UHFFFAOYSA-N
XLogP1.05
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol?
The IUPAC name of 2-[3-[[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol (CID 86285413) is 2-[3-[[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol.
What is the SMILES notation for 2-[3-[[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol?
The canonical SMILES for 2-[3-[[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol is CCc1c(C)nc(N)nc1NCC1CCCN(CCO)C1.
What is the InChIKey of 2-[3-[[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol?
The InChIKey is LARUNIYMHMYCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-3-13-11(2)18-15(16)19-14(13)17-9-12-5-4-6-20(10-12)7-8-21/h12,21H,3-10H2,1-2H3,(H3,16,17,18,19).
What are the key properties of 2-[3-[[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol?
2-[3-[[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol has a molecular weight of 293.41 g/mol, XLogP of 1.05, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[(2-amino-5-ethyl-6-methylpyrimidin-4-yl)amino]methyl]piperidin-1-yl]ethanol is sourced from PubChem (CID 86285413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).