4,6-dimethoxy(1,3-15N2)pyrimidin-2-(15N)amine

C6H9N3O2 — CID 71309698

IUPAC4,6-dimethoxy(1,3-15N2)pyrimidin-2-(15N)amine
SMILESCOc1cc(OC)[15n]c([15NH2])[15n]1
InChIInChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)/i7+1,8+1,9+1
InChIKeyLVFRCHIUUKWBLR-ULEDQSHZSA-N
MW158.14 g/mol
LogP0.08
Rot. Bonds2

About 4,6-dimethoxy(1,3-15N2)pyrimidin-2-(15N)amine

4,6-dimethoxy(1,3-15N2)pyrimidin-2-(15N)amine (PubChem CID 71309698) has the molecular formula C6H9N3O2 and a molecular weight of 158.14 g/mol. Its IUPAC name is 4,6-dimethoxy(1,3-15N2)pyrimidin-2-(15N)amine.

Molecular Properties

Compound Name4,6-dimethoxy(1,3-15N2)pyrimidin-2-(15N)amine
PubChem CID71309698
Molecular FormulaC6H9N3O2
Molecular Weight158.14 g/mol
Exact Mass158.06
IUPAC Name4,6-dimethoxy(1,3-15N2)pyrimidin-2-(15N)amine
SMILESCOc1cc(OC)[15n]c([15NH2])[15n]1
InChIInChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)/i7+1,8+1,9+1
InChIKeyLVFRCHIUUKWBLR-ULEDQSHZSA-N
XLogP0.08
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.14
LogP ≤ 50.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Amidosulfuron
CID 91777
2-Amino-4,6-dimethoxypyrimidine
CID 118946
2-Pyrimidinamine, 4-chloro-6-methoxy-
CID 79811
2,6-Dimethoxy-4-aminopyrimidine
CID 76789
4,6-Dimethoxy-2-pyrimidinyl urea
CID 9837373
4,6-Dimethoxy-2-(methylsulfonyl)pyrimidine
CID 838363
4-Chloro-2,6-dimethoxypyrimidine
CID 80600
4-Amino-6-methoxypyrimidine
CID 735731
N-(4,6-dimethoxypyrimidin-2-yl)acetamide
CID 934943
4,6-Dimethoxypyrimidine-2-carbonitrile
CID 21466113
2,4,6-Trimethoxypyrimidine
CID 726938
2-Chloro-4,6-dimethoxypyrimidine
CID 5152323

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy(1,3-15N2)pyrimidin-2-(15N)amine?
The IUPAC name of 4,6-dimethoxy(1,3-15N2)pyrimidin-2-(15N)amine (CID 71309698) is 4,6-dimethoxy(1,3-15N2)pyrimidin-2-(15N)amine.
What is the SMILES notation for 4,6-dimethoxy(1,3-15N2)pyrimidin-2-(15N)amine?
The canonical SMILES for 4,6-dimethoxy(1,3-15N2)pyrimidin-2-(15N)amine is COc1cc(OC)[15n]c([15NH2])[15n]1.
What is the InChIKey of 4,6-dimethoxy(1,3-15N2)pyrimidin-2-(15N)amine?
The InChIKey is LVFRCHIUUKWBLR-ULEDQSHZSA-N. The full InChI is InChI=1S/C6H9N3O2/c1-10-4-3-5(11-2)9-6(7)8-4/h3H,1-2H3,(H2,7,8,9)/i7+1,8+1,9+1.
What are the key properties of 4,6-dimethoxy(1,3-15N2)pyrimidin-2-(15N)amine?
4,6-dimethoxy(1,3-15N2)pyrimidin-2-(15N)amine has a molecular weight of 158.14 g/mol, XLogP of 0.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy(1,3-15N2)pyrimidin-2-(15N)amine is sourced from PubChem (CID 71309698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).