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

C14H22N4O — CID 107489048

IUPAC4-ethoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCCC2=CCNCC2)n1
InChIInChI=1S/C14H22N4O/c1-3-19-13-10-11(2)17-14(18-13)16-9-6-12-4-7-15-8-5-12/h4,10,15H,3,5-9H2,1-2H3,(H,16,17,18)
InChIKeyFUHYBHSSRXOEFT-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.91
Rot. Bonds6

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

4-ethoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine (PubChem CID 107489048) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-ethoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine
PubChem CID107489048
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name4-ethoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine
SMILESCCOc1cc(C)nc(NCCC2=CCNCC2)n1
InChIInChI=1S/C14H22N4O/c1-3-19-13-10-11(2)17-14(18-13)16-9-6-12-4-7-15-8-5-12/h4,10,15H,3,5-9H2,1-2H3,(H,16,17,18)
InChIKeyFUHYBHSSRXOEFT-UHFFFAOYSA-N
XLogP1.91
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.91
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-methoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine
CID 107489508
N-[2-(cyclopenten-1-yl)ethyl]-4-methyl-6-propoxypyrimidin-2-amine
CID 106177621
4-ethoxy-6-methyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 5066040
4-ethoxy-6-methyl-N-(2-methylsulfanylethyl)pyrimidin-2-amine
CID 112637746
N'-(4-ethoxy-6-methylpyrimidin-2-yl)-N-ethylethane-1,2-diamine
CID 112634830
6-ethoxy-2-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)pyrimidin-4-amine
CID 114694682
4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]butan-1-ol
CID 106842653
5,6-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-1,2,4-triazin-3-amine
CID 107489073
4-ethoxy-6-methyl-N-(2-thiomorpholin-4-ylethyl)pyrimidin-2-amine
CID 106325959
4-ethoxy-6-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyrimidin-2-amine
CID 103007614
4-ethoxy-N-(5-methoxypentyl)-6-methylpyrimidin-2-amine
CID 114131177
4-ethoxy-6-methyl-N-(piperidin-3-ylmethyl)pyrimidin-2-amine
CID 112634792

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine (CID 107489048) is 4-ethoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine is CCOc1cc(C)nc(NCCC2=CCNCC2)n1.
What is the InChIKey of 4-ethoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine?
The InChIKey is FUHYBHSSRXOEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-19-13-10-11(2)17-14(18-13)16-9-6-12-4-7-15-8-5-12/h4,10,15H,3,5-9H2,1-2H3,(H,16,17,18).
What are the key properties of 4-ethoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine?
4-ethoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine has a molecular weight of 262.36 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-methyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 107489048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).