6-amino-1-ethyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione

C10H14N6O3 — CID 103703174

IUPAC6-amino-1-ethyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCc2noc(C)n2)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N6O3/c1-3-16-8(11)7(9(17)14-10(16)18)12-4-6-13-5(2)19-15-6/h12H,3-4,11H2,1-2H3,(H,14,17,18)
InChIKeyMBSSTLKUUANQRR-UHFFFAOYSA-N
MW266.26 g/mol
LogP-0.56
Rot. Bonds4

About 6-amino-1-ethyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione

6-amino-1-ethyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione (PubChem CID 103703174) has the molecular formula C10H14N6O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 6-amino-1-ethyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-ethyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione
PubChem CID103703174
Molecular FormulaC10H14N6O3
Molecular Weight266.26 g/mol
Exact Mass266.11
IUPAC Name6-amino-1-ethyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione
SMILESCCn1c(N)c(NCc2noc(C)n2)c(=O)[nH]c1=O
InChIInChI=1S/C10H14N6O3/c1-3-16-8(11)7(9(17)14-10(16)18)12-4-6-13-5(2)19-15-6/h12H,3-4,11H2,1-2H3,(H,14,17,18)
InChIKeyMBSSTLKUUANQRR-UHFFFAOYSA-N
XLogP-0.56
TPSA131.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-ethyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-ethyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione (CID 103703174) is 6-amino-1-ethyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-ethyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-ethyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione is CCn1c(N)c(NCc2noc(C)n2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-ethyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione?
The InChIKey is MBSSTLKUUANQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O3/c1-3-16-8(11)7(9(17)14-10(16)18)12-4-6-13-5(2)19-15-6/h12H,3-4,11H2,1-2H3,(H,14,17,18).
What are the key properties of 6-amino-1-ethyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione?
6-amino-1-ethyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione has a molecular weight of 266.26 g/mol, XLogP of -0.56, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-ethyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 103703174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).