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

C16H26N6O3 — CID 60507644

IUPAC6-amino-1-butyl-5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(C)Cc2noc(C(C)(C)C)n2)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N6O3/c1-6-7-8-22-12(17)11(13(23)19-15(22)24)21(5)9-10-18-14(25-20-10)16(2,3)4/h6-9,17H2,1-5H3,(H,19,23,24)
InChIKeyZPOCNMBWOXDBHN-UHFFFAOYSA-N
MW350.42 g/mol
LogP1.24
Rot. Bonds6

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

6-amino-1-butyl-5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidine-2,4-dione (PubChem CID 60507644) has the molecular formula C16H26N6O3 and a molecular weight of 350.42 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidine-2,4-dione
PubChem CID60507644
Molecular FormulaC16H26N6O3
Molecular Weight350.42 g/mol
Exact Mass350.21
IUPAC Name6-amino-1-butyl-5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(N(C)Cc2noc(C(C)(C)C)n2)c(=O)[nH]c1=O
InChIInChI=1S/C16H26N6O3/c1-6-7-8-22-12(17)11(13(23)19-15(22)24)21(5)9-10-18-14(25-20-10)16(2,3)4/h6-9,17H2,1-5H3,(H,19,23,24)
InChIKeyZPOCNMBWOXDBHN-UHFFFAOYSA-N
XLogP1.24
TPSA123.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidine-2,4-dione (CID 60507644) is 6-amino-1-butyl-5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidine-2,4-dione is CCCCn1c(N)c(N(C)Cc2noc(C(C)(C)C)n2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidine-2,4-dione?
The InChIKey is ZPOCNMBWOXDBHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N6O3/c1-6-7-8-22-12(17)11(13(23)19-15(22)24)21(5)9-10-18-14(25-20-10)16(2,3)4/h6-9,17H2,1-5H3,(H,19,23,24).
What are the key properties of 6-amino-1-butyl-5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidine-2,4-dione has a molecular weight of 350.42 g/mol, XLogP of 1.24, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 60507644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).