[1-[2-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]ethyl]piperidin-3-yl]methanol

C17H28N4O — CID 56872558

IUPAC[1-[2-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]ethyl]piperidin-3-yl]methanol
SMILESCc1cc(C2CCC2)nc(NCCN2CCCC(CO)C2)n1
InChIInChI=1S/C17H28N4O/c1-13-10-16(15-5-2-6-15)20-17(19-13)18-7-9-21-8-3-4-14(11-21)12-22/h10,14-15,22H,2-9,11-12H2,1H3,(H,18,19,20)
InChIKeyKFCNMYPERLRFNW-UHFFFAOYSA-N
MW304.44 g/mol
LogP2.17
Rot. Bonds6

About [1-[2-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]ethyl]piperidin-3-yl]methanol

[1-[2-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]ethyl]piperidin-3-yl]methanol (PubChem CID 56872558) has the molecular formula C17H28N4O and a molecular weight of 304.44 g/mol. Its IUPAC name is [1-[2-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[2-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]ethyl]piperidin-3-yl]methanol
PubChem CID56872558
Molecular FormulaC17H28N4O
Molecular Weight304.44 g/mol
Exact Mass304.23
IUPAC Name[1-[2-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]ethyl]piperidin-3-yl]methanol
SMILESCc1cc(C2CCC2)nc(NCCN2CCCC(CO)C2)n1
InChIInChI=1S/C17H28N4O/c1-13-10-16(15-5-2-6-15)20-17(19-13)18-7-9-21-8-3-4-14(11-21)12-22/h10,14-15,22H,2-9,11-12H2,1H3,(H,18,19,20)
InChIKeyKFCNMYPERLRFNW-UHFFFAOYSA-N
XLogP2.17
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.44
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[2-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]ethyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[2-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]ethyl]piperidin-3-yl]methanol (CID 56872558) is [1-[2-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[2-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[2-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]ethyl]piperidin-3-yl]methanol is Cc1cc(C2CCC2)nc(NCCN2CCCC(CO)C2)n1.
What is the InChIKey of [1-[2-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]ethyl]piperidin-3-yl]methanol?
The InChIKey is KFCNMYPERLRFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O/c1-13-10-16(15-5-2-6-15)20-17(19-13)18-7-9-21-8-3-4-14(11-21)12-22/h10,14-15,22H,2-9,11-12H2,1H3,(H,18,19,20).
What are the key properties of [1-[2-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]ethyl]piperidin-3-yl]methanol?
[1-[2-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]ethyl]piperidin-3-yl]methanol has a molecular weight of 304.44 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[(4-cyclobutyl-6-methylpyrimidin-2-yl)amino]ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 56872558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).