4-methoxy-N-(4-methylpiperidin-4-yl)pyrimidin-2-amine

C11H18N4O — CID 114696985

IUPAC4-methoxy-N-(4-methylpiperidin-4-yl)pyrimidin-2-amine
SMILESCOc1ccnc(NC2(C)CCNCC2)n1
InChIInChI=1S/C11H18N4O/c1-11(4-7-12-8-5-11)15-10-13-6-3-9(14-10)16-2/h3,6,12H,4-5,7-8H2,1-2H3,(H,13,14,15)
InChIKeyLTARTDXXKGNRES-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.04
Rot. Bonds3

About 4-methoxy-N-(4-methylpiperidin-4-yl)pyrimidin-2-amine

4-methoxy-N-(4-methylpiperidin-4-yl)pyrimidin-2-amine (PubChem CID 114696985) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 4-methoxy-N-(4-methylpiperidin-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-(4-methylpiperidin-4-yl)pyrimidin-2-amine
PubChem CID114696985
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name4-methoxy-N-(4-methylpiperidin-4-yl)pyrimidin-2-amine
SMILESCOc1ccnc(NC2(C)CCNCC2)n1
InChIInChI=1S/C11H18N4O/c1-11(4-7-12-8-5-11)15-10-13-6-3-9(14-10)16-2/h3,6,12H,4-5,7-8H2,1-2H3,(H,13,14,15)
InChIKeyLTARTDXXKGNRES-UHFFFAOYSA-N
XLogP1.04
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methoxy-N-(4-methylpiperidin-4-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methylpiperidin-4-yl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-(4-methylpiperidin-4-yl)pyrimidin-2-amine (CID 114696985) is 4-methoxy-N-(4-methylpiperidin-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-(4-methylpiperidin-4-yl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-(4-methylpiperidin-4-yl)pyrimidin-2-amine is COc1ccnc(NC2(C)CCNCC2)n1.
What is the InChIKey of 4-methoxy-N-(4-methylpiperidin-4-yl)pyrimidin-2-amine?
The InChIKey is LTARTDXXKGNRES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-11(4-7-12-8-5-11)15-10-13-6-3-9(14-10)16-2/h3,6,12H,4-5,7-8H2,1-2H3,(H,13,14,15).
What are the key properties of 4-methoxy-N-(4-methylpiperidin-4-yl)pyrimidin-2-amine?
4-methoxy-N-(4-methylpiperidin-4-yl)pyrimidin-2-amine has a molecular weight of 222.29 g/mol, XLogP of 1.04, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methylpiperidin-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 114696985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).