6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione

C15H23N5O2S — CID 17397546

IUPAC6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(-c2csc(NC(C)C)n2)c(=O)n(C)c1=O
InChIInChI=1S/C15H23N5O2S/c1-8(2)6-20-12(16)11(13(21)19(5)15(20)22)10-7-23-14(18-10)17-9(3)4/h7-9H,6,16H2,1-5H3,(H,17,18)
InChIKeyINNBQHOJTNOYCJ-UHFFFAOYSA-N
MW337.45 g/mol
LogP1.73
Rot. Bonds5

About 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione

6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione (PubChem CID 17397546) has the molecular formula C15H23N5O2S and a molecular weight of 337.45 g/mol. Its IUPAC name is 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione
PubChem CID17397546
Molecular FormulaC15H23N5O2S
Molecular Weight337.45 g/mol
Exact Mass337.16
IUPAC Name6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(-c2csc(NC(C)C)n2)c(=O)n(C)c1=O
InChIInChI=1S/C15H23N5O2S/c1-8(2)6-20-12(16)11(13(21)19(5)15(20)22)10-7-23-14(18-10)17-9(3)4/h7-9H,6,16H2,1-5H3,(H,17,18)
InChIKeyINNBQHOJTNOYCJ-UHFFFAOYSA-N
XLogP1.73
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 51.73
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-5-[2-(methylamino)-1,3-thiazol-4-yl]-1-propylpyrimidine-2,4-dione
CID 9421011
6-Amino-5-[2-(cyclopropylamino)-1,3-thiazol-4-yl]-1,3-dimethylpyrimidine-2,4-dione
CID 16348205
N-[4-[2-[butyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 53535167
2-methyl-N-[4-[2-[methyl(3,3,3-trifluoropropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]propanamide
CID 86833562
N-[4-[2-[(3-amino-2,2-difluoropropyl)amino]-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylpropanamide
CID 120412078
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-(isopentylamino)-2-oxoethyl)thiazol-2-yl)-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 16881507
N-(4-(2-(methylamino)-2-oxoethyl)thiazol-2-yl)-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 16881606

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione (CID 17397546) is 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione is CC(C)Cn1c(N)c(-c2csc(NC(C)C)n2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione?
The InChIKey is INNBQHOJTNOYCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2S/c1-8(2)6-20-12(16)11(13(21)19(5)15(20)22)10-7-23-14(18-10)17-9(3)4/h7-9H,6,16H2,1-5H3,(H,17,18).
What are the key properties of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione?
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione has a molecular weight of 337.45 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(propan-2-ylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 17397546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).