(4-(15N)azanyl-2-oxo(613C,1,3-15N2)pyrimidin-1-yl)methyl 2,2-dimethylpropanoate

C10H15N3O3 — CID 10955340

IUPAC(4-(15N)azanyl-2-oxo(613C,1,3-15N2)pyrimidin-1-yl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[15n]1[13cH]cc([15NH2])[15n]c1=O
InChIInChI=1S/C10H15N3O3/c1-10(2,3)8(14)16-6-13-5-4-7(11)12-9(13)15/h4-5H,6H2,1-3H3,(H2,11,12,15)/i5+1,11+1,12+1,13+1
InChIKeyIFRSSSNSTPFOGO-OFMIEZLFSA-N
MW229.22 g/mol
LogP0.37
Rot. Bonds2

About (4-(15N)azanyl-2-oxo(613C,1,3-15N2)pyrimidin-1-yl)methyl 2,2-dimethylpropanoate

(4-(15N)azanyl-2-oxo(613C,1,3-15N2)pyrimidin-1-yl)methyl 2,2-dimethylpropanoate (PubChem CID 10955340) has the molecular formula C10H15N3O3 and a molecular weight of 229.22 g/mol. Its IUPAC name is (4-(15N)azanyl-2-oxo(613C,1,3-15N2)pyrimidin-1-yl)methyl 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(4-(15N)azanyl-2-oxo(613C,1,3-15N2)pyrimidin-1-yl)methyl 2,2-dimethylpropanoate
PubChem CID10955340
Molecular FormulaC10H15N3O3
Molecular Weight229.22 g/mol
Exact Mass229.11
IUPAC Name(4-(15N)azanyl-2-oxo(613C,1,3-15N2)pyrimidin-1-yl)methyl 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC[15n]1[13cH]cc([15NH2])[15n]c1=O
InChIInChI=1S/C10H15N3O3/c1-10(2,3)8(14)16-6-13-5-4-7(11)12-9(13)15/h4-5H,6H2,1-3H3,(H2,11,12,15)/i5+1,11+1,12+1,13+1
InChIKeyIFRSSSNSTPFOGO-OFMIEZLFSA-N
XLogP0.37
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.22
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-(15N)azanyl-2-oxo(613C,1,3-15N2)pyrimidin-1-yl)methyl 2,2-dimethylpropanoate?
The IUPAC name of (4-(15N)azanyl-2-oxo(613C,1,3-15N2)pyrimidin-1-yl)methyl 2,2-dimethylpropanoate (CID 10955340) is (4-(15N)azanyl-2-oxo(613C,1,3-15N2)pyrimidin-1-yl)methyl 2,2-dimethylpropanoate.
What is the SMILES notation for (4-(15N)azanyl-2-oxo(613C,1,3-15N2)pyrimidin-1-yl)methyl 2,2-dimethylpropanoate?
The canonical SMILES for (4-(15N)azanyl-2-oxo(613C,1,3-15N2)pyrimidin-1-yl)methyl 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC[15n]1[13cH]cc([15NH2])[15n]c1=O.
What is the InChIKey of (4-(15N)azanyl-2-oxo(613C,1,3-15N2)pyrimidin-1-yl)methyl 2,2-dimethylpropanoate?
The InChIKey is IFRSSSNSTPFOGO-OFMIEZLFSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-10(2,3)8(14)16-6-13-5-4-7(11)12-9(13)15/h4-5H,6H2,1-3H3,(H2,11,12,15)/i5+1,11+1,12+1,13+1.
What are the key properties of (4-(15N)azanyl-2-oxo(613C,1,3-15N2)pyrimidin-1-yl)methyl 2,2-dimethylpropanoate?
(4-(15N)azanyl-2-oxo(613C,1,3-15N2)pyrimidin-1-yl)methyl 2,2-dimethylpropanoate has a molecular weight of 229.22 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-(15N)azanyl-2-oxo(613C,1,3-15N2)pyrimidin-1-yl)methyl 2,2-dimethylpropanoate is sourced from PubChem (CID 10955340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).