6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione

C13H22N4O2S — CID 103704326

IUPAC6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NC2CCSC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O2S/c1-8(2)6-17-11(14)10(12(18)16(3)13(17)19)15-9-4-5-20-7-9/h8-9,15H,4-7,14H2,1-3H3
InChIKeyCHYTVKWKRLDRMJ-UHFFFAOYSA-N
MW298.41 g/mol
LogP0.70
Rot. Bonds4

About 6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione

6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione (PubChem CID 103704326) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is 6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione
PubChem CID103704326
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC Name6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(NC2CCSC2)c(=O)n(C)c1=O
InChIInChI=1S/C13H22N4O2S/c1-8(2)6-17-11(14)10(12(18)16(3)13(17)19)15-9-4-5-20-7-9/h8-9,15H,4-7,14H2,1-3H3
InChIKeyCHYTVKWKRLDRMJ-UHFFFAOYSA-N
XLogP0.70
TPSA82.05 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-3-methyl-1-(2-methylpropyl)-5-[(1-methylpyrrolidin-3-yl)amino]pyrimidine-2,4-dione
CID 61360583
6-amino-5-[(2-cyclopropyl-2-hydroxyethyl)amino]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 63239465
5,6-diamino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 4110339
6-amino-3-methyl-5-[(1-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 61368695
6-amino-3-methyl-5-[(1-methylcyclobutyl)methylamino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 103736927
6-amino-5-(2,2-dimethoxyethylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 107389812
6-amino-5-(2-hydroxypentylamino)-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 115622855
N-[4-amino-1-methyl-3-[(2R)-2-methylbutyl]-2,6-dioxopyrimidin-5-yl]acetamide
CID 94065195
6-amino-5-[(3-methylcyclopentyl)amino]-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 114547851
6-amino-1-butyl-5-(thian-4-ylamino)pyrimidine-2,4-dione
CID 115599961
6-amino-3-methyl-5-(4-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 60919883
6-amino-3-methyl-5-(3-methylpentan-2-ylamino)-1-propylpyrimidine-2,4-dione
CID 61463422

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione (CID 103704326) is 6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(NC2CCSC2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione?
The InChIKey is CHYTVKWKRLDRMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-8(2)6-17-11(14)10(12(18)16(3)13(17)19)15-9-4-5-20-7-9/h8-9,15H,4-7,14H2,1-3H3.
What are the key properties of 6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione?
6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione has a molecular weight of 298.41 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-1-(2-methylpropyl)-5-(thiolan-3-ylamino)pyrimidine-2,4-dione is sourced from PubChem (CID 103704326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).