6-amino-3-methyl-5-[2-(methylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione

C12H17N5O2S — CID 9421011

IUPAC6-amino-3-methyl-5-[2-(methylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(-c2csc(NC)n2)c(=O)n(C)c1=O
InChIInChI=1S/C12H17N5O2S/c1-4-5-17-9(13)8(10(18)16(3)12(17)19)7-6-20-11(14-2)15-7/h6H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyHEEJLPMSLIPYKF-UHFFFAOYSA-N
MW295.37 g/mol
LogP0.70
Rot. Bonds4

About 6-amino-3-methyl-5-[2-(methylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione

6-amino-3-methyl-5-[2-(methylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione (PubChem CID 9421011) has the molecular formula C12H17N5O2S and a molecular weight of 295.37 g/mol. Its IUPAC name is 6-amino-3-methyl-5-[2-(methylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-5-[2-(methylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione
PubChem CID9421011
Molecular FormulaC12H17N5O2S
Molecular Weight295.37 g/mol
Exact Mass295.11
IUPAC Name6-amino-3-methyl-5-[2-(methylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(-c2csc(NC)n2)c(=O)n(C)c1=O
InChIInChI=1S/C12H17N5O2S/c1-4-5-17-9(13)8(10(18)16(3)12(17)19)7-6-20-11(14-2)15-7/h6H,4-5,13H2,1-3H3,(H,14,15)
InChIKeyHEEJLPMSLIPYKF-UHFFFAOYSA-N
XLogP0.70
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2-Amino-1,3-thiazol-4-yl)pyrimidine-2,4(1H,3H)-dione
CID 238134
N-(4-(2-(ethylamino)-2-oxoethyl)thiazol-2-yl)pivalamide
CID 41227694
(2S)-3-[(4-ethyl-1,3-thiazol-2-yl)carbamoyl-methylamino]-N,2-dimethylpropanamide
CID 96569818
6-Amino-3-methyl-1-(2-methylpropyl)-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione
CID 17397546
6-Amino-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 16348205
6-Amino-5-[2-(butylamino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 9420912
N-(4-(2-(methylamino)-2-oxoethyl)thiazol-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 16881499
N-(4-(2-(methylamino)-2-oxoethyl)thiazol-2-yl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 16881606
6-Amino-5-[2-(diethylamino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 17396875
6-Amino-3-methyl-1-(2-methylpropyl)-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione
CID 17408094
6-Amino-3-methyl-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione
CID 17461084
2,2-Dimethyl-N-(4-{[(2-methylpropyl)carbamoyl]methyl}-1,3-thiazol-2-YL)propanamide
CID 18568225

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-5-[2-(methylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-5-[2-(methylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione (CID 9421011) is 6-amino-3-methyl-5-[2-(methylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-5-[2-(methylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-5-[2-(methylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(-c2csc(NC)n2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-5-[2-(methylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione?
The InChIKey is HEEJLPMSLIPYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2S/c1-4-5-17-9(13)8(10(18)16(3)12(17)19)7-6-20-11(14-2)15-7/h6H,4-5,13H2,1-3H3,(H,14,15).
What are the key properties of 6-amino-3-methyl-5-[2-(methylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione?
6-amino-3-methyl-5-[2-(methylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione has a molecular weight of 295.37 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-5-[2-(methylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 9421011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).