6-(3-methoxypiperidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

C15H26N4O — CID 102971566

IUPAC6-(3-methoxypiperidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(N2CCCC(OC)C2)c1C
InChIInChI=1S/C15H26N4O/c1-10(2)13-17-14(16-4)11(3)15(18-13)19-8-6-7-12(9-19)20-5/h10,12H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyDWLAWZBTUQFTCR-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.57
Rot. Bonds4

About 6-(3-methoxypiperidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

6-(3-methoxypiperidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 102971566) has the molecular formula C15H26N4O and a molecular weight of 278.40 g/mol. Its IUPAC name is 6-(3-methoxypiperidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-methoxypiperidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID102971566
Molecular FormulaC15H26N4O
Molecular Weight278.40 g/mol
Exact Mass278.21
IUPAC Name6-(3-methoxypiperidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCNc1nc(C(C)C)nc(N2CCCC(OC)C2)c1C
InChIInChI=1S/C15H26N4O/c1-10(2)13-17-14(16-4)11(3)15(18-13)19-8-6-7-12(9-19)20-5/h10,12H,6-9H2,1-5H3,(H,16,17,18)
InChIKeyDWLAWZBTUQFTCR-UHFFFAOYSA-N
XLogP2.57
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxypiperidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(3-methoxypiperidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (CID 102971566) is 6-(3-methoxypiperidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-methoxypiperidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(3-methoxypiperidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is CNc1nc(C(C)C)nc(N2CCCC(OC)C2)c1C.
What is the InChIKey of 6-(3-methoxypiperidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is DWLAWZBTUQFTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O/c1-10(2)13-17-14(16-4)11(3)15(18-13)19-8-6-7-12(9-19)20-5/h10,12H,6-9H2,1-5H3,(H,16,17,18).
What are the key properties of 6-(3-methoxypiperidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
6-(3-methoxypiperidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxypiperidin-1-yl)-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 102971566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).