2-(2-aminopyrimidin-5-yl)-N-ethyl-N-[(3-ethyl-3-fluorocyclopentyl)methyl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine

C24H33FN8O — CID 167028517

IUPAC2-(2-aminopyrimidin-5-yl)-N-ethyl-N-[(3-ethyl-3-fluorocyclopentyl)methyl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine
SMILESCCN(CC1CCC(F)(CC)C1)c1nc(-c2cnc(N)nc2)nc2c1nc1n2CCOC1(C)C
InChIInChI=1S/C24H33FN8O/c1-5-24(25)8-7-15(11-24)14-32(6-2)19-17-20(33-9-10-34-23(3,4)21(33)29-17)31-18(30-19)16-12-27-22(26)28-13-16/h12-13,15H,5-11,14H2,1-4H3,(H2,26,27,28)
InChIKeyOCWBXQVNALVIKD-UHFFFAOYSA-N
MW468.58 g/mol
LogP3.88
Rot. Bonds6

About 2-(2-aminopyrimidin-5-yl)-N-ethyl-N-[(3-ethyl-3-fluorocyclopentyl)methyl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine

2-(2-aminopyrimidin-5-yl)-N-ethyl-N-[(3-ethyl-3-fluorocyclopentyl)methyl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine (PubChem CID 167028517) has the molecular formula C24H33FN8O and a molecular weight of 468.58 g/mol. Its IUPAC name is 2-(2-aminopyrimidin-5-yl)-N-ethyl-N-[(3-ethyl-3-fluorocyclopentyl)methyl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine.

Molecular Properties

Compound Name2-(2-aminopyrimidin-5-yl)-N-ethyl-N-[(3-ethyl-3-fluorocyclopentyl)methyl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine
PubChem CID167028517
Molecular FormulaC24H33FN8O
Molecular Weight468.58 g/mol
Exact Mass468.28
IUPAC Name2-(2-aminopyrimidin-5-yl)-N-ethyl-N-[(3-ethyl-3-fluorocyclopentyl)methyl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine
SMILESCCN(CC1CCC(F)(CC)C1)c1nc(-c2cnc(N)nc2)nc2c1nc1n2CCOC1(C)C
InChIInChI=1S/C24H33FN8O/c1-5-24(25)8-7-15(11-24)14-32(6-2)19-17-20(33-9-10-34-23(3,4)21(33)29-17)31-18(30-19)16-12-27-22(26)28-13-16/h12-13,15H,5-11,14H2,1-4H3,(H2,26,27,28)
InChIKeyOCWBXQVNALVIKD-UHFFFAOYSA-N
XLogP3.88
TPSA107.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.58
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-(2-aminopyrimidin-5-yl)-N-ethyl-N-[(3-ethyl-3-fluorocyclopentyl)methyl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyrimidin-5-yl)-N-ethyl-N-[(3-ethyl-3-fluorocyclopentyl)methyl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine?
The IUPAC name of 2-(2-aminopyrimidin-5-yl)-N-ethyl-N-[(3-ethyl-3-fluorocyclopentyl)methyl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine (CID 167028517) is 2-(2-aminopyrimidin-5-yl)-N-ethyl-N-[(3-ethyl-3-fluorocyclopentyl)methyl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine.
What is the SMILES notation for 2-(2-aminopyrimidin-5-yl)-N-ethyl-N-[(3-ethyl-3-fluorocyclopentyl)methyl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine?
The canonical SMILES for 2-(2-aminopyrimidin-5-yl)-N-ethyl-N-[(3-ethyl-3-fluorocyclopentyl)methyl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine is CCN(CC1CCC(F)(CC)C1)c1nc(-c2cnc(N)nc2)nc2c1nc1n2CCOC1(C)C.
What is the InChIKey of 2-(2-aminopyrimidin-5-yl)-N-ethyl-N-[(3-ethyl-3-fluorocyclopentyl)methyl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine?
The InChIKey is OCWBXQVNALVIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN8O/c1-5-24(25)8-7-15(11-24)14-32(6-2)19-17-20(33-9-10-34-23(3,4)21(33)29-17)31-18(30-19)16-12-27-22(26)28-13-16/h12-13,15H,5-11,14H2,1-4H3,(H2,26,27,28).
What are the key properties of 2-(2-aminopyrimidin-5-yl)-N-ethyl-N-[(3-ethyl-3-fluorocyclopentyl)methyl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine?
2-(2-aminopyrimidin-5-yl)-N-ethyl-N-[(3-ethyl-3-fluorocyclopentyl)methyl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine has a molecular weight of 468.58 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyrimidin-5-yl)-N-ethyl-N-[(3-ethyl-3-fluorocyclopentyl)methyl]-6,6-dimethyl-8,9-dihydropurino[8,9-c][1,4]oxazin-4-amine is sourced from PubChem (CID 167028517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).