1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine

C12H20N4O2 — CID 113293006

IUPAC1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine
SMILESCOc1cc(OC)nc(N2CCC(N)C(C)C2)n1
InChIInChI=1S/C12H20N4O2/c1-8-7-16(5-4-9(8)13)12-14-10(17-2)6-11(15-12)18-3/h6,8-9H,4-5,7,13H2,1-3H3
InChIKeyDKLJBJURRCQUKV-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.67
Rot. Bonds3

About 1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine

1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine (PubChem CID 113293006) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine
PubChem CID113293006
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine
SMILESCOc1cc(OC)nc(N2CCC(N)C(C)C2)n1
InChIInChI=1S/C12H20N4O2/c1-8-7-16(5-4-9(8)13)12-14-10(17-2)6-11(15-12)18-3/h6,8-9H,4-5,7,13H2,1-3H3
InChIKeyDKLJBJURRCQUKV-UHFFFAOYSA-N
XLogP0.67
TPSA73.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine?
The IUPAC name of 1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine (CID 113293006) is 1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine.
What is the SMILES notation for 1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine?
The canonical SMILES for 1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine is COc1cc(OC)nc(N2CCC(N)C(C)C2)n1.
What is the InChIKey of 1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine?
The InChIKey is DKLJBJURRCQUKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-7-16(5-4-9(8)13)12-14-10(17-2)6-11(15-12)18-3/h6,8-9H,4-5,7,13H2,1-3H3.
What are the key properties of 1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine?
1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine has a molecular weight of 252.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethoxypyrimidin-2-yl)-3-methylpiperidin-4-amine is sourced from PubChem (CID 113293006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).