4-(3-methoxy-3-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine

C14H24N4O2 — CID 107390598

IUPAC4-(3-methoxy-3-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine
SMILESCOC1(C)CCCN(c2ncnc(OC(C)C)c2N)C1
InChIInChI=1S/C14H24N4O2/c1-10(2)20-13-11(15)12(16-9-17-13)18-7-5-6-14(3,8-18)19-4/h9-10H,5-8,15H2,1-4H3
InChIKeyRFVQRPMTTPBURX-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.85
Rot. Bonds4

About 4-(3-methoxy-3-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine

4-(3-methoxy-3-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine (PubChem CID 107390598) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine.

Molecular Properties

Compound Name4-(3-methoxy-3-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine
PubChem CID107390598
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Name4-(3-methoxy-3-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine
SMILESCOC1(C)CCCN(c2ncnc(OC(C)C)c2N)C1
InChIInChI=1S/C14H24N4O2/c1-10(2)20-13-11(15)12(16-9-17-13)18-7-5-6-14(3,8-18)19-4/h9-10H,5-8,15H2,1-4H3
InChIKeyRFVQRPMTTPBURX-UHFFFAOYSA-N
XLogP1.85
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine?
The IUPAC name of 4-(3-methoxy-3-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine (CID 107390598) is 4-(3-methoxy-3-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine.
What is the SMILES notation for 4-(3-methoxy-3-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine?
The canonical SMILES for 4-(3-methoxy-3-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine is COC1(C)CCCN(c2ncnc(OC(C)C)c2N)C1.
What is the InChIKey of 4-(3-methoxy-3-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine?
The InChIKey is RFVQRPMTTPBURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10(2)20-13-11(15)12(16-9-17-13)18-7-5-6-14(3,8-18)19-4/h9-10H,5-8,15H2,1-4H3.
What are the key properties of 4-(3-methoxy-3-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine?
4-(3-methoxy-3-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine has a molecular weight of 280.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylpiperidin-1-yl)-6-propan-2-yloxypyrimidin-5-amine is sourced from PubChem (CID 107390598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).