4-methoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine

C13H20N4O — CID 107489508

IUPAC4-methoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCCC2=CCNCC2)n1
InChIInChI=1S/C13H20N4O/c1-10-9-12(18-2)17-13(16-10)15-8-5-11-3-6-14-7-4-11/h3,9,14H,4-8H2,1-2H3,(H,15,16,17)
InChIKeyYHALSIVBXFAYCO-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.52
Rot. Bonds5

About 4-methoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine

4-methoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine (PubChem CID 107489508) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is 4-methoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine
PubChem CID107489508
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name4-methoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine
SMILESCOc1cc(C)nc(NCCC2=CCNCC2)n1
InChIInChI=1S/C13H20N4O/c1-10-9-12(18-2)17-13(16-10)15-8-5-11-3-6-14-7-4-11/h3,9,14H,4-8H2,1-2H3,(H,15,16,17)
InChIKeyYHALSIVBXFAYCO-UHFFFAOYSA-N
XLogP1.52
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-ethoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine
CID 107489048
5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,2,4-triazin-3-amine
CID 107489073
N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 106177621
4-methoxy-6-methyl-N-(2-piperidin-3-ylethyl)pyrimidin-2-amine
CID 112634897
4-methoxy-6-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-2-amine
CID 103744798
6-[(4-methoxy-6-methylpyrimidin-2-yl)amino]hexan-1-ol
CID 113351651
4-methoxy-6-methyl-N-(2-methylsulfonylethyl)pyrimidin-2-amine
CID 112691022
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]propanamide
CID 112691754
N-(4-methoxy-6-methylpyrimidin-2-yl)-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 112691667
4,6-dimethyl-2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylamino]pyridine-3-carboxamide
CID 107488718
N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 115973571
N,N'-bis(4-methoxy-6-methylpyrimidin-2-yl)-N'-methylethane-1,2-diamine
CID 166233772

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine (CID 107489508) is 4-methoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine is COc1cc(C)nc(NCCC2=CCNCC2)n1.
What is the InChIKey of 4-methoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine?
The InChIKey is YHALSIVBXFAYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-10-9-12(18-2)17-13(16-10)15-8-5-11-3-6-14-7-4-11/h3,9,14H,4-8H2,1-2H3,(H,15,16,17).
What are the key properties of 4-methoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine?
4-methoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine has a molecular weight of 248.33 g/mol, XLogP of 1.52, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 107489508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).