3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea

C15H23N7O3 — CID 137150739

IUPAC3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESCC(C)c1nc(CCN(C)C(=O)NCCc2nc(N)cc(=O)[nH]2)no1
InChIInChI=1S/C15H23N7O3/c1-9(2)14-20-12(21-25-14)5-7-22(3)15(24)17-6-4-11-18-10(16)8-13(23)19-11/h8-9H,4-7H2,1-3H3,(H,17,24)(H3,16,18,19,23)
InChIKeyGRINJXLOQNWKFO-UHFFFAOYSA-N
MW349.40 g/mol
LogP0.29
Rot. Bonds7

About 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea

3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea (PubChem CID 137150739) has the molecular formula C15H23N7O3 and a molecular weight of 349.40 g/mol. Its IUPAC name is 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea.

Molecular Properties

Compound Name3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea
PubChem CID137150739
Molecular FormulaC15H23N7O3
Molecular Weight349.40 g/mol
Exact Mass349.19
IUPAC Name3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea
SMILESCC(C)c1nc(CCN(C)C(=O)NCCc2nc(N)cc(=O)[nH]2)no1
InChIInChI=1S/C15H23N7O3/c1-9(2)14-20-12(21-25-14)5-7-22(3)15(24)17-6-4-11-18-10(16)8-13(23)19-11/h8-9H,4-7H2,1-3H3,(H,17,24)(H3,16,18,19,23)
InChIKeyGRINJXLOQNWKFO-UHFFFAOYSA-N
XLogP0.29
TPSA143.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.40
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The IUPAC name of 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea (CID 137150739) is 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea.
What is the SMILES notation for 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The canonical SMILES for 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea is CC(C)c1nc(CCN(C)C(=O)NCCc2nc(N)cc(=O)[nH]2)no1.
What is the InChIKey of 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea?
The InChIKey is GRINJXLOQNWKFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N7O3/c1-9(2)14-20-12(21-25-14)5-7-22(3)15(24)17-6-4-11-18-10(16)8-13(23)19-11/h8-9H,4-7H2,1-3H3,(H,17,24)(H3,16,18,19,23).
What are the key properties of 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea?
3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea has a molecular weight of 349.40 g/mol, XLogP of 0.29, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-1-methyl-1-[2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)ethyl]urea is sourced from PubChem (CID 137150739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).