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

C14H19N5O2S — CID 9419970

IUPAC6-amino-5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(N)c(-c2csc(NC3CCCC3)n2)c(=O)[nH]c1=O
InChIInChI=1S/C14H19N5O2S/c1-2-19-11(15)10(12(20)18-14(19)21)9-7-22-13(17-9)16-8-5-3-4-6-8/h7-8H,2-6,15H2,1H3,(H,16,17)(H,18,20,21)
InChIKeyWRVOKDYBUCFVGK-UHFFFAOYSA-N
MW321.41 g/mol
LogP1.62
Rot. Bonds4

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

6-amino-5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione (PubChem CID 9419970) has the molecular formula C14H19N5O2S and a molecular weight of 321.41 g/mol. Its IUPAC name is 6-amino-5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione
PubChem CID9419970
Molecular FormulaC14H19N5O2S
Molecular Weight321.41 g/mol
Exact Mass321.13
IUPAC Name6-amino-5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione
SMILESCCn1c(N)c(-c2csc(NC3CCCC3)n2)c(=O)[nH]c1=O
InChIInChI=1S/C14H19N5O2S/c1-2-19-11(15)10(12(20)18-14(19)21)9-7-22-13(17-9)16-8-5-3-4-6-8/h7-8H,2-6,15H2,1H3,(H,16,17)(H,18,20,21)
InChIKeyWRVOKDYBUCFVGK-UHFFFAOYSA-N
XLogP1.62
TPSA105.80 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 51.62
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-(cyclopentylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione (CID 9419970) is 6-amino-5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione is CCn1c(N)c(-c2csc(NC3CCCC3)n2)c(=O)[nH]c1=O.
What is the InChIKey of 6-amino-5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione?
The InChIKey is WRVOKDYBUCFVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2S/c1-2-19-11(15)10(12(20)18-14(19)21)9-7-22-13(17-9)16-8-5-3-4-6-8/h7-8H,2-6,15H2,1H3,(H,16,17)(H,18,20,21).
What are the key properties of 6-amino-5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione?
6-amino-5-[2-(cyclopentylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione has a molecular weight of 321.41 g/mol, XLogP of 1.62, 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-(cyclopentylamino)-1,3-thiazol-4-yl]-1-ethylpyrimidine-2,4-dione is sourced from PubChem (CID 9419970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).