[2-propan-2-yl-5-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-yl]methanol

C16H27N3O — CID 114594756

IUPAC[2-propan-2-yl-5-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-yl]methanol
SMILESCC1CC(C)C(C)N(c2cnc(C(C)C)nc2CO)C1
InChIInChI=1S/C16H27N3O/c1-10(2)16-17-7-15(14(9-20)18-16)19-8-11(3)6-12(4)13(19)5/h7,10-13,20H,6,8-9H2,1-5H3
InChIKeyLSMBXPCSKRSTBJ-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.96
Rot. Bonds3

About [2-propan-2-yl-5-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-yl]methanol

[2-propan-2-yl-5-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-yl]methanol (PubChem CID 114594756) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is [2-propan-2-yl-5-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-yl]methanol.

Molecular Properties

Compound Name[2-propan-2-yl-5-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-yl]methanol
PubChem CID114594756
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name[2-propan-2-yl-5-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-yl]methanol
SMILESCC1CC(C)C(C)N(c2cnc(C(C)C)nc2CO)C1
InChIInChI=1S/C16H27N3O/c1-10(2)16-17-7-15(14(9-20)18-16)19-8-11(3)6-12(4)13(19)5/h7,10-13,20H,6,8-9H2,1-5H3
InChIKeyLSMBXPCSKRSTBJ-UHFFFAOYSA-N
XLogP2.96
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-propan-2-yl-5-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-yl]methanol?
The IUPAC name of [2-propan-2-yl-5-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-yl]methanol (CID 114594756) is [2-propan-2-yl-5-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-yl]methanol.
What is the SMILES notation for [2-propan-2-yl-5-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-yl]methanol?
The canonical SMILES for [2-propan-2-yl-5-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-yl]methanol is CC1CC(C)C(C)N(c2cnc(C(C)C)nc2CO)C1.
What is the InChIKey of [2-propan-2-yl-5-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-yl]methanol?
The InChIKey is LSMBXPCSKRSTBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-10(2)16-17-7-15(14(9-20)18-16)19-8-11(3)6-12(4)13(19)5/h7,10-13,20H,6,8-9H2,1-5H3.
What are the key properties of [2-propan-2-yl-5-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-yl]methanol?
[2-propan-2-yl-5-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-yl]methanol has a molecular weight of 277.41 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-propan-2-yl-5-(2,3,5-trimethylpiperidin-1-yl)pyrimidin-4-yl]methanol is sourced from PubChem (CID 114594756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).