4-(methoxymethyl)-3,3-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol

C15H26N4O2 — CID 156605238

IUPAC4-(methoxymethyl)-3,3-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol
SMILESCNc1cc(C)nc(N2CCC(O)(COC)C(C)(C)C2)n1
InChIInChI=1S/C15H26N4O2/c1-11-8-12(16-4)18-13(17-11)19-7-6-15(20,10-21-5)14(2,3)9-19/h8,20H,6-7,9-10H2,1-5H3,(H,16,17,18)
InChIKeyOLXZQIWGRWUGAR-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.44
Rot. Bonds4

About 4-(methoxymethyl)-3,3-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol

4-(methoxymethyl)-3,3-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol (PubChem CID 156605238) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 4-(methoxymethyl)-3,3-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(methoxymethyl)-3,3-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol
PubChem CID156605238
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name4-(methoxymethyl)-3,3-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol
SMILESCNc1cc(C)nc(N2CCC(O)(COC)C(C)(C)C2)n1
InChIInChI=1S/C15H26N4O2/c1-11-8-12(16-4)18-13(17-11)19-7-6-15(20,10-21-5)14(2,3)9-19/h8,20H,6-7,9-10H2,1-5H3,(H,16,17,18)
InChIKeyOLXZQIWGRWUGAR-UHFFFAOYSA-N
XLogP1.44
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-3,3-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol?
The IUPAC name of 4-(methoxymethyl)-3,3-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol (CID 156605238) is 4-(methoxymethyl)-3,3-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-(methoxymethyl)-3,3-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol?
The canonical SMILES for 4-(methoxymethyl)-3,3-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol is CNc1cc(C)nc(N2CCC(O)(COC)C(C)(C)C2)n1.
What is the InChIKey of 4-(methoxymethyl)-3,3-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol?
The InChIKey is OLXZQIWGRWUGAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-11-8-12(16-4)18-13(17-11)19-7-6-15(20,10-21-5)14(2,3)9-19/h8,20H,6-7,9-10H2,1-5H3,(H,16,17,18).
What are the key properties of 4-(methoxymethyl)-3,3-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol?
4-(methoxymethyl)-3,3-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol has a molecular weight of 294.40 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-3,3-dimethyl-1-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-4-ol is sourced from PubChem (CID 156605238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).