N-(1,2-dimethylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine

C13H22N4O — CID 112695265

IUPACN-(1,2-dimethylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1cc(C)nc(NC2CCN(C)C(C)C2)n1
InChIInChI=1S/C13H22N4O/c1-9-7-12(18-4)16-13(14-9)15-11-5-6-17(3)10(2)8-11/h7,10-11H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeyKSPYHNPXGFEESG-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.69
Rot. Bonds3

About N-(1,2-dimethylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine

N-(1,2-dimethylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine (PubChem CID 112695265) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is N-(1,2-dimethylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,2-dimethylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine
PubChem CID112695265
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC NameN-(1,2-dimethylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine
SMILESCOc1cc(C)nc(NC2CCN(C)C(C)C2)n1
InChIInChI=1S/C13H22N4O/c1-9-7-12(18-4)16-13(14-9)15-11-5-6-17(3)10(2)8-11/h7,10-11H,5-6,8H2,1-4H3,(H,14,15,16)
InChIKeyKSPYHNPXGFEESG-UHFFFAOYSA-N
XLogP1.69
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,2-dimethylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine?
The IUPAC name of N-(1,2-dimethylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine (CID 112695265) is N-(1,2-dimethylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-(1,2-dimethylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine?
The canonical SMILES for N-(1,2-dimethylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine is COc1cc(C)nc(NC2CCN(C)C(C)C2)n1.
What is the InChIKey of N-(1,2-dimethylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine?
The InChIKey is KSPYHNPXGFEESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9-7-12(18-4)16-13(14-9)15-11-5-6-17(3)10(2)8-11/h7,10-11H,5-6,8H2,1-4H3,(H,14,15,16).
What are the key properties of N-(1,2-dimethylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine?
N-(1,2-dimethylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine has a molecular weight of 250.35 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-dimethylpiperidin-4-yl)-4-methoxy-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112695265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).