4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine

C15H24N4O — CID 115974598

IUPAC4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCC2CC3CCC(C2)N3C)n1
InChIInChI=1S/C15H24N4O/c1-3-20-14-6-7-16-15(18-14)17-10-11-8-12-4-5-13(9-11)19(12)2/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,16,17,18)
InChIKeyOIHYVPVNFYUIEN-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.16
Rot. Bonds5

About 4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine

4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine (PubChem CID 115974598) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is 4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine
PubChem CID115974598
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine
SMILESCCOc1ccnc(NCC2CC3CCC(C2)N3C)n1
InChIInChI=1S/C15H24N4O/c1-3-20-14-6-7-16-15(18-14)17-10-11-8-12-4-5-13(9-11)19(12)2/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,16,17,18)
InChIKeyOIHYVPVNFYUIEN-UHFFFAOYSA-N
XLogP2.16
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine with MolForge

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Related Compounds

N-[(3-aminocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639518
N-[(3-chlorocyclobutyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639324
4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 112637316
N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 94830398
N-[(2-aminocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639496
N-[(2-chlorocyclopentyl)methyl]-4-ethoxypyrimidin-2-amine
CID 112639314
N-(2-cyclohexylethyl)-4-ethoxypyrimidin-2-amine
CID 112636877
N-(cyclopentylmethyl)-4-methoxypyrimidin-2-amine
CID 112684482
4-ethoxy-N-[2-[(3S)-1-methylpiperidin-3-yl]ethyl]pyrimidin-2-amine
CID 125447537
N-[(3-chlorocyclobutyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112639325
4-ethoxy-N-[2-(3-methylcyclohexyl)ethyl]pyrimidin-2-amine
CID 112637806
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-2-amine
CID 61012196

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine (CID 115974598) is 4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine is CCOc1ccnc(NCC2CC3CCC(C2)N3C)n1.
What is the InChIKey of 4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is OIHYVPVNFYUIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-3-20-14-6-7-16-15(18-14)17-10-11-8-12-4-5-13(9-11)19(12)2/h6-7,11-13H,3-5,8-10H2,1-2H3,(H,16,17,18).
What are the key properties of 4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine?
4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 276.38 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 115974598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).