6-amino-1-butyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione

C12H18N6O3 — CID 103744373

IUPAC6-amino-1-butyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCCc2ncno2)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N6O3/c1-2-3-6-18-10(13)9(11(19)17-12(18)20)14-5-4-8-15-7-16-21-8/h7,14H,2-6,13H2,1H3,(H,17,19,20)
InChIKeyQVSRMKWDKJVMAC-UHFFFAOYSA-N
MW294.31 g/mol
LogP-0.04
Rot. Bonds7

About 6-amino-1-butyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione

6-amino-1-butyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione (PubChem CID 103744373) has the molecular formula C12H18N6O3 and a molecular weight of 294.31 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione
PubChem CID103744373
Molecular FormulaC12H18N6O3
Molecular Weight294.31 g/mol
Exact Mass294.14
IUPAC Name6-amino-1-butyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCCc2ncno2)c(=O)[nH]c1=O
InChIInChI=1S/C12H18N6O3/c1-2-3-6-18-10(13)9(11(19)17-12(18)20)14-5-4-8-15-7-16-21-8/h7,14H,2-6,13H2,1H3,(H,17,19,20)
InChIKeyQVSRMKWDKJVMAC-UHFFFAOYSA-N
XLogP-0.04
TPSA131.83 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-Amino-1-butyl-5-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl-methylamino]pyrimidine-2,4-dione
CID 60507644
6-Amino-1-butyl-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]pyrimidine-2,4-dione
CID 103703171
6-Amino-5-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-1-propylpyrimidine-2,4-dione
CID 103703203
2-(tert-butylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744064
6-Amino-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-1-propylpyrimidine-2,4-dione
CID 103744379
6-Amino-1-ethyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione
CID 103744396
6-Amino-1-methyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione
CID 103744416
1,3-Dimethyl-5-[[2-(1,2,4-oxadiazol-5-yl)ethylamino]methyl]pyrimidine-2,4-dione
CID 103744522
2-(ethylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106397330
2-methyl-2-(methylamino)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106397332
2-(ethylamino)-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 106397403
2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-piperazin-1-ylpropanamide
CID 106397425

Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione (CID 103744373) is 6-amino-1-butyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione is CCCCn1c(N)c(NCCc2ncno2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione?
The InChIKey is QVSRMKWDKJVMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O3/c1-2-3-6-18-10(13)9(11(19)17-12(18)20)14-5-4-8-15-7-16-21-8/h7,14H,2-6,13H2,1H3,(H,17,19,20).
What are the key properties of 6-amino-1-butyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione has a molecular weight of 294.31 g/mol, XLogP of -0.04, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 103744373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).