6-amino-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione

C12H15N5O2S — CID 9421570

IUPAC6-amino-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(N)c(-c2csc(NC3CC3)n2)c(=O)[nH]c1=O
InChIInChI=1S/C12H15N5O2S/c1-2-17-9(13)8(10(18)16-12(17)19)7-5-20-11(15-7)14-6-3-4-6/h5-6H,2-4,13H2,1H3,(H,14,15)(H,16,18,19)
InChIKeyQZOZRKXKHOKIRS-UHFFFAOYSA-N
MW293.35 g/mol
LogP0.84
Rot. Bonds4

About 6-amino-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione

6-amino-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione (PubChem CID 9421570) has the molecular formula C12H15N5O2S and a molecular weight of 293.35 g/mol. Its IUPAC name is 6-amino-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione
PubChem CID9421570
Molecular FormulaC12H15N5O2S
Molecular Weight293.35 g/mol
Exact Mass293.09
IUPAC Name6-amino-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(N)c(-c2csc(NC3CC3)n2)c(=O)[nH]c1=O
InChIInChI=1S/C12H15N5O2S/c1-2-17-9(13)8(10(18)16-12(17)19)7-5-20-11(15-7)14-6-3-4-6/h5-6H,2-4,13H2,1H3,(H,14,15)(H,16,18,19)
InChIKeyQZOZRKXKHOKIRS-UHFFFAOYSA-N
XLogP0.84
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione (CID 9421570) is 6-amino-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione is CCn1c(N)c(-c2csc(NC3CC3)n2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione?
The InChIKey is QZOZRKXKHOKIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2S/c1-2-17-9(13)8(10(18)16-12(17)19)7-5-20-11(15-7)14-6-3-4-6/h5-6H,2-4,13H2,1H3,(H,14,15)(H,16,18,19).
What are the key properties of 6-amino-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione?
6-amino-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione has a molecular weight of 293.35 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 9421570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).