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

C15H23N5O3S — CID 9420729

IUPAC6-amino-5-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(-c2csc(N[C@@H](C)COC)n2)c(=O)n(C)c1=O
InChIInChI=1S/C15H23N5O3S/c1-5-6-20-12(16)11(13(21)19(3)15(20)22)10-8-24-14(18-10)17-9(2)7-23-4/h8-9H,5-7,16H2,1-4H3,(H,17,18)/t9-/m0/s1
InChIKeyFFSXCMNAVYNNRQ-VIFPVBQESA-N
MW353.45 g/mol
LogP1.11
Rot. Bonds7

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

6-amino-5-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione (PubChem CID 9420729) has the molecular formula C15H23N5O3S and a molecular weight of 353.45 g/mol. Its IUPAC name is 6-amino-5-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
PubChem CID9420729
Molecular FormulaC15H23N5O3S
Molecular Weight353.45 g/mol
Exact Mass353.15
IUPAC Name6-amino-5-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(-c2csc(N[C@@H](C)COC)n2)c(=O)n(C)c1=O
InChIInChI=1S/C15H23N5O3S/c1-5-6-20-12(16)11(13(21)19(3)15(20)22)10-8-24-14(18-10)17-9(2)7-23-4/h8-9H,5-7,16H2,1-4H3,(H,17,18)/t9-/m0/s1
InChIKeyFFSXCMNAVYNNRQ-VIFPVBQESA-N
XLogP1.11
TPSA104.17 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

6-amino-5-[2-[[(2R)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 9420731
6-amino-5-[2-(3-fluoro-4-methylanilino)-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 9173921
2-[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]acetamide
CID 9174002
6-amino-5-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 17471294
N-(1-methoxypropan-2-yl)-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 4884366
N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-amine
CID 2649638
6-amino-5-[(1-methoxy-3-methylbutan-2-yl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 65047999
N-[(2S)-1-methoxypropan-2-yl]-4-(4-methylphenyl)-1,3-thiazol-2-amine
CID 9268587
N-[(2S)-1-methoxypropan-2-yl]-4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-amine
CID 2496794
N-[(2S)-1-methoxypropan-2-yl]-4-(5-methylthiophen-2-yl)-1,3-thiazol-2-amine
CID 8750414
4-(2,5-dimethoxyphenyl)-N-[(2R)-1-methoxypropan-2-yl]-1,3-thiazol-2-amine
CID 8750392
6-amino-5-(2-amino-1,3-thiazol-4-yl)-1,3-dimethylpyrimidine-2,4-dione
CID 25469654

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione (CID 9420729) is 6-amino-5-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(-c2csc(N[C@@H](C)COC)n2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
The InChIKey is FFSXCMNAVYNNRQ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H23N5O3S/c1-5-6-20-12(16)11(13(21)19(3)15(20)22)10-8-24-14(18-10)17-9(2)7-23-4/h8-9H,5-7,16H2,1-4H3,(H,17,18)/t9-/m0/s1.
What are the key properties of 6-amino-5-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione?
6-amino-5-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione has a molecular weight of 353.45 g/mol, XLogP of 1.11, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[2-[[(2S)-1-methoxypropan-2-yl]amino]-1,3-thiazol-4-yl]-3-methyl-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 9420729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).