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

C15H21N5O2S — CID 17408094

IUPAC6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione
SMILESC=CCNc1nc(-c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cs1
InChIInChI=1S/C15H21N5O2S/c1-5-6-17-14-18-10(8-23-14)11-12(16)20(7-9(2)3)15(22)19(4)13(11)21/h5,8-9H,1,6-7,16H2,2-4H3,(H,17,18)
InChIKeyYGOZVQUQDMBFOV-UHFFFAOYSA-N
MW335.43 g/mol
LogP1.51
Rot. Bonds6

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

6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione (PubChem CID 17408094) has the molecular formula C15H21N5O2S and a molecular weight of 335.43 g/mol. Its IUPAC name is 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione
PubChem CID17408094
Molecular FormulaC15H21N5O2S
Molecular Weight335.43 g/mol
Exact Mass335.14
IUPAC Name6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione
SMILESC=CCNc1nc(-c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cs1
InChIInChI=1S/C15H21N5O2S/c1-5-6-17-14-18-10(8-23-14)11-12(16)20(7-9(2)3)15(22)19(4)13(11)21/h5,8-9H,1,6-7,16H2,2-4H3,(H,17,18)
InChIKeyYGOZVQUQDMBFOV-UHFFFAOYSA-N
XLogP1.51
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione (CID 17408094) is 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione is C=CCNc1nc(-c2c(N)n(CC(C)C)c(=O)n(C)c2=O)cs1.
What is the InChIKey of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione?
The InChIKey is YGOZVQUQDMBFOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2S/c1-5-6-17-14-18-10(8-23-14)11-12(16)20(7-9(2)3)15(22)19(4)13(11)21/h5,8-9H,1,6-7,16H2,2-4H3,(H,17,18).
What are the key properties of 6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione?
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione has a molecular weight of 335.43 g/mol, XLogP of 1.51, 6 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-(prop-2-enylamino)-1,3-thiazol-4-yl]pyrimidine-2,4-dione is sourced from PubChem (CID 17408094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).