6-amino-1-propyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione

C11H15N5O2S — CID 55220029

IUPAC6-amino-1-propyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCc2cscn2)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N5O2S/c1-2-3-16-9(12)8(10(17)15-11(16)18)13-4-7-5-19-6-14-7/h5-6,13H,2-4,12H2,1H3,(H,15,17,18)
InChIKeyBTCCEEJQEDLQIY-UHFFFAOYSA-N
MW281.34 g/mol
LogP0.60
Rot. Bonds5

About 6-amino-1-propyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione

6-amino-1-propyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione (PubChem CID 55220029) has the molecular formula C11H15N5O2S and a molecular weight of 281.34 g/mol. Its IUPAC name is 6-amino-1-propyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-1-propyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione
PubChem CID55220029
Molecular FormulaC11H15N5O2S
Molecular Weight281.34 g/mol
Exact Mass281.09
IUPAC Name6-amino-1-propyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCc2cscn2)c(=O)[nH]c1=O
InChIInChI=1S/C11H15N5O2S/c1-2-3-16-9(12)8(10(17)15-11(16)18)13-4-7-5-19-6-14-7/h5-6,13H,2-4,12H2,1H3,(H,15,17,18)
InChIKeyBTCCEEJQEDLQIY-UHFFFAOYSA-N
XLogP0.60
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.34
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1-propyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-1-propyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione (CID 55220029) is 6-amino-1-propyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-1-propyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-1-propyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione is CCCn1c(N)c(NCc2cscn2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-1-propyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione?
The InChIKey is BTCCEEJQEDLQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O2S/c1-2-3-16-9(12)8(10(17)15-11(16)18)13-4-7-5-19-6-14-7/h5-6,13H,2-4,12H2,1H3,(H,15,17,18).
What are the key properties of 6-amino-1-propyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione?
6-amino-1-propyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione has a molecular weight of 281.34 g/mol, XLogP of 0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1-propyl-5-(1,3-thiazol-4-ylmethylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 55220029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).