6-amino-1-butyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione

C13H19N5O2S — CID 63830445

IUPAC6-amino-1-butyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCCc2cscn2)c(=O)[nH]c1=O
InChIInChI=1S/C13H19N5O2S/c1-2-3-6-18-11(14)10(12(19)17-13(18)20)15-5-4-9-7-21-8-16-9/h7-8,15H,2-6,14H2,1H3,(H,17,19,20)
InChIKeyRMXBVZZXAINSHG-UHFFFAOYSA-N
MW309.39 g/mol
LogP1.03
Rot. Bonds7

About 6-amino-1-butyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione

6-amino-1-butyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione (PubChem CID 63830445) has the molecular formula C13H19N5O2S and a molecular weight of 309.39 g/mol. Its IUPAC name is 6-amino-1-butyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-butyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione
PubChem CID63830445
Molecular FormulaC13H19N5O2S
Molecular Weight309.39 g/mol
Exact Mass309.13
IUPAC Name6-amino-1-butyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione
SMILESCCCCn1c(N)c(NCCc2cscn2)c(=O)[nH]c1=O
InChIInChI=1S/C13H19N5O2S/c1-2-3-6-18-11(14)10(12(19)17-13(18)20)15-5-4-9-7-21-8-16-9/h7-8,15H,2-6,14H2,1H3,(H,17,19,20)
InChIKeyRMXBVZZXAINSHG-UHFFFAOYSA-N
XLogP1.03
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-butyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-butyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione (CID 63830445) is 6-amino-1-butyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-butyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-butyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione is CCCCn1c(N)c(NCCc2cscn2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-butyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione?
The InChIKey is RMXBVZZXAINSHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-2-3-6-18-11(14)10(12(19)17-13(18)20)15-5-4-9-7-21-8-16-9/h7-8,15H,2-6,14H2,1H3,(H,17,19,20).
What are the key properties of 6-amino-1-butyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione?
6-amino-1-butyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione has a molecular weight of 309.39 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-butyl-5-[2-(1,3-thiazol-4-yl)ethylamino]pyrimidine-2,4-dione is sourced from PubChem (CID 63830445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).