N-(2-methoxyethyl)-2-[4-[(2-methylpyrimidin-4-yl)methyl]morpholin-2-yl]-9-(2,2,2-trifluoroethyl)purin-6-amine

C20H25F3N8O2 — CID 175655183

IUPACN-(2-methoxyethyl)-2-[4-[(2-methylpyrimidin-4-yl)methyl]morpholin-2-yl]-9-(2,2,2-trifluoroethyl)purin-6-amine
SMILESCOCCNc1nc(C2CN(Cc3ccnc(C)n3)CCO2)nc2c1ncn2CC(F)(F)F
InChIInChI=1S/C20H25F3N8O2/c1-13-24-4-3-14(27-13)9-30-6-8-33-15(10-30)17-28-18(25-5-7-32-2)16-19(29-17)31(12-26-16)11-20(21,22)23/h3-4,12,15H,5-11H2,1-2H3,(H,25,28,29)
InChIKeyLVJYKEXAZNADST-UHFFFAOYSA-N
MW466.47 g/mol
LogP2.12
Rot. Bonds8

About N-(2-methoxyethyl)-2-[4-[(2-methylpyrimidin-4-yl)methyl]morpholin-2-yl]-9-(2,2,2-trifluoroethyl)purin-6-amine

N-(2-methoxyethyl)-2-[4-[(2-methylpyrimidin-4-yl)methyl]morpholin-2-yl]-9-(2,2,2-trifluoroethyl)purin-6-amine (PubChem CID 175655183) has the molecular formula C20H25F3N8O2 and a molecular weight of 466.47 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-[(2-methylpyrimidin-4-yl)methyl]morpholin-2-yl]-9-(2,2,2-trifluoroethyl)purin-6-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-[(2-methylpyrimidin-4-yl)methyl]morpholin-2-yl]-9-(2,2,2-trifluoroethyl)purin-6-amine
PubChem CID175655183
Molecular FormulaC20H25F3N8O2
Molecular Weight466.47 g/mol
Exact Mass466.21
IUPAC NameN-(2-methoxyethyl)-2-[4-[(2-methylpyrimidin-4-yl)methyl]morpholin-2-yl]-9-(2,2,2-trifluoroethyl)purin-6-amine
SMILESCOCCNc1nc(C2CN(Cc3ccnc(C)n3)CCO2)nc2c1ncn2CC(F)(F)F
InChIInChI=1S/C20H25F3N8O2/c1-13-24-4-3-14(27-13)9-30-6-8-33-15(10-30)17-28-18(25-5-7-32-2)16-19(29-17)31(12-26-16)11-20(21,22)23/h3-4,12,15H,5-11H2,1-2H3,(H,25,28,29)
InChIKeyLVJYKEXAZNADST-UHFFFAOYSA-N
XLogP2.12
TPSA103.11 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.47
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-2-[4-[(5-methyl-1,3-thiazol-2-yl)methyl]morpholin-2-yl]-9-(2,2,2-trifluoroethyl)purin-6-amine
CID 175657884
N-methyl-3-[4-[(2-methylpyrimidin-4-yl)methyl]morpholin-2-yl]pyrazin-2-amine
CID 110112876
2-(5-methylpyrazin-2-yl)-4-[(2-methylpyrimidin-4-yl)methyl]morpholine
CID 110103266
4-[2-[1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine
CID 175656376
N-(2-methoxyethyl)-2-methyl-6-[(2S)-4-[(1-methylpyrazol-4-yl)methyl]morpholin-2-yl]pyrimidin-4-amine
CID 95847567
9-benzyl-N-(2-methoxyethyl)-2-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]pyrrolidin-2-yl]purin-6-amine
CID 175656595
4-[2-[1-[(3-methyl-2-pyridinyl)methyl]piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine
CID 175656651
2-methoxy-N-[[2-(4-propan-2-ylmorpholin-2-yl)pyrimidin-4-yl]methyl]ethanamine
CID 79663141
2-(2,6-dimethylpyrimidin-4-yl)-4-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]morpholine
CID 110115987
2-(2-methylpyrimidin-4-yl)-4-(1H-pyrazol-5-ylmethyl)morpholine
CID 110112074
(2R)-4-(cyclopropylmethyl)-2-(2-methylpyrimidin-4-yl)morpholine
CID 95843145
4-[2-[1-(pyrimidin-5-ylmethyl)piperidin-3-yl]-9-(2,2,2-trifluoroethyl)purin-6-yl]morpholine
CID 175654865

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-[(2-methylpyrimidin-4-yl)methyl]morpholin-2-yl]-9-(2,2,2-trifluoroethyl)purin-6-amine?
The IUPAC name of N-(2-methoxyethyl)-2-[4-[(2-methylpyrimidin-4-yl)methyl]morpholin-2-yl]-9-(2,2,2-trifluoroethyl)purin-6-amine (CID 175655183) is N-(2-methoxyethyl)-2-[4-[(2-methylpyrimidin-4-yl)methyl]morpholin-2-yl]-9-(2,2,2-trifluoroethyl)purin-6-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-[(2-methylpyrimidin-4-yl)methyl]morpholin-2-yl]-9-(2,2,2-trifluoroethyl)purin-6-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-[(2-methylpyrimidin-4-yl)methyl]morpholin-2-yl]-9-(2,2,2-trifluoroethyl)purin-6-amine is COCCNc1nc(C2CN(Cc3ccnc(C)n3)CCO2)nc2c1ncn2CC(F)(F)F.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-[(2-methylpyrimidin-4-yl)methyl]morpholin-2-yl]-9-(2,2,2-trifluoroethyl)purin-6-amine?
The InChIKey is LVJYKEXAZNADST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F3N8O2/c1-13-24-4-3-14(27-13)9-30-6-8-33-15(10-30)17-28-18(25-5-7-32-2)16-19(29-17)31(12-26-16)11-20(21,22)23/h3-4,12,15H,5-11H2,1-2H3,(H,25,28,29).
What are the key properties of N-(2-methoxyethyl)-2-[4-[(2-methylpyrimidin-4-yl)methyl]morpholin-2-yl]-9-(2,2,2-trifluoroethyl)purin-6-amine?
N-(2-methoxyethyl)-2-[4-[(2-methylpyrimidin-4-yl)methyl]morpholin-2-yl]-9-(2,2,2-trifluoroethyl)purin-6-amine has a molecular weight of 466.47 g/mol, XLogP of 2.12, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-[(2-methylpyrimidin-4-yl)methyl]morpholin-2-yl]-9-(2,2,2-trifluoroethyl)purin-6-amine is sourced from PubChem (CID 175655183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).