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

C15H22N4O2S — CID 51121071

IUPAC6-amino-3-methyl-1-(2-methylpropyl)-5-(2-propan-2-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(-c2csc(C(C)C)n2)c(=O)n(C)c1=O
InChIInChI=1S/C15H22N4O2S/c1-8(2)6-19-12(16)11(14(20)18(5)15(19)21)10-7-22-13(17-10)9(3)4/h7-9H,6,16H2,1-5H3
InChIKeyMFLIDROQKDMSMQ-UHFFFAOYSA-N
MW322.43 g/mol
LogP2.03
Rot. Bonds4

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

6-amino-3-methyl-1-(2-methylpropyl)-5-(2-propan-2-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione (PubChem CID 51121071) has the molecular formula C15H22N4O2S and a molecular weight of 322.43 g/mol. Its IUPAC name is 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-propan-2-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-1-(2-methylpropyl)-5-(2-propan-2-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione
PubChem CID51121071
Molecular FormulaC15H22N4O2S
Molecular Weight322.43 g/mol
Exact Mass322.15
IUPAC Name6-amino-3-methyl-1-(2-methylpropyl)-5-(2-propan-2-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione
SMILESCC(C)Cn1c(N)c(-c2csc(C(C)C)n2)c(=O)n(C)c1=O
InChIInChI=1S/C15H22N4O2S/c1-8(2)6-19-12(16)11(14(20)18(5)15(19)21)10-7-22-13(17-10)9(3)4/h7-9H,6,16H2,1-5H3
InChIKeyMFLIDROQKDMSMQ-UHFFFAOYSA-N
XLogP2.03
TPSA82.91 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-propan-2-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-propan-2-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione (CID 51121071) is 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-propan-2-yl-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-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-propan-2-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione is CC(C)Cn1c(N)c(-c2csc(C(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-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione?
The InChIKey is MFLIDROQKDMSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2S/c1-8(2)6-19-12(16)11(14(20)18(5)15(19)21)10-7-22-13(17-10)9(3)4/h7-9H,6,16H2,1-5H3.
What are the key properties of 6-amino-3-methyl-1-(2-methylpropyl)-5-(2-propan-2-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione?
6-amino-3-methyl-1-(2-methylpropyl)-5-(2-propan-2-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione has a molecular weight of 322.43 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 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-(2-propan-2-yl-1,3-thiazol-4-yl)pyrimidine-2,4-dione is sourced from PubChem (CID 51121071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).