6-amino-5-[2-methoxyethyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

C16H25N5O4 — CID 78834390

IUPAC6-amino-5-[2-methoxyethyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCOCCN(Cc1cc(C)no1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C16H25N5O4/c1-10(2)8-21-14(17)13(15(22)18-16(21)23)20(5-6-24-4)9-12-7-11(3)19-25-12/h7,10H,5-6,8-9,17H2,1-4H3,(H,18,22,23)
InChIKeyXPHJCEQQHJYILK-UHFFFAOYSA-N
MW351.41 g/mol
LogP0.72
Rot. Bonds8

About 6-amino-5-[2-methoxyethyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-5-[2-methoxyethyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 78834390) has the molecular formula C16H25N5O4 and a molecular weight of 351.41 g/mol. Its IUPAC name is 6-amino-5-[2-methoxyethyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-methoxyethyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID78834390
Molecular FormulaC16H25N5O4
Molecular Weight351.41 g/mol
Exact Mass351.19
IUPAC Name6-amino-5-[2-methoxyethyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCOCCN(Cc1cc(C)no1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O
InChIInChI=1S/C16H25N5O4/c1-10(2)8-21-14(17)13(15(22)18-16(21)23)20(5-6-24-4)9-12-7-11(3)19-25-12/h7,10H,5-6,8-9,17H2,1-4H3,(H,18,22,23)
InChIKeyXPHJCEQQHJYILK-UHFFFAOYSA-N
XLogP0.72
TPSA119.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-methoxyethyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-methoxyethyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 78834390) is 6-amino-5-[2-methoxyethyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-methoxyethyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-methoxyethyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is COCCN(Cc1cc(C)no1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-methoxyethyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is XPHJCEQQHJYILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O4/c1-10(2)8-21-14(17)13(15(22)18-16(21)23)20(5-6-24-4)9-12-7-11(3)19-25-12/h7,10H,5-6,8-9,17H2,1-4H3,(H,18,22,23).
What are the key properties of 6-amino-5-[2-methoxyethyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-5-[2-methoxyethyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 351.41 g/mol, XLogP of 0.72, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-methoxyethyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 78834390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).