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

C13H19N5O2S — CID 61281034

IUPAC6-amino-3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCc2cnc(C)s2)c(=O)n(C)c1=O
InChIInChI=1S/C13H19N5O2S/c1-4-5-18-11(14)10(12(19)17(3)13(18)20)16-7-9-6-15-8(2)21-9/h6,16H,4-5,7,14H2,1-3H3
InChIKeyUTECLHVUIRJNPV-UHFFFAOYSA-N
MW309.40 g/mol
LogP0.92
Rot. Bonds5

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

6-amino-3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione (PubChem CID 61281034) has the molecular formula C13H19N5O2S and a molecular weight of 309.40 g/mol. Its IUPAC name is 6-amino-3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione
PubChem CID61281034
Molecular FormulaC13H19N5O2S
Molecular Weight309.40 g/mol
Exact Mass309.13
IUPAC Name6-amino-3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione
SMILESCCCn1c(N)c(NCc2cnc(C)s2)c(=O)n(C)c1=O
InChIInChI=1S/C13H19N5O2S/c1-4-5-18-11(14)10(12(19)17(3)13(18)20)16-7-9-6-15-8(2)21-9/h6,16H,4-5,7,14H2,1-3H3
InChIKeyUTECLHVUIRJNPV-UHFFFAOYSA-N
XLogP0.92
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.40
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione (CID 61281034) is 6-amino-3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione is CCCn1c(N)c(NCc2cnc(C)s2)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione?
The InChIKey is UTECLHVUIRJNPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O2S/c1-4-5-18-11(14)10(12(19)17(3)13(18)20)16-7-9-6-15-8(2)21-9/h6,16H,4-5,7,14H2,1-3H3.
What are the key properties of 6-amino-3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione?
6-amino-3-methyl-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione has a molecular weight of 309.40 g/mol, XLogP of 0.92, 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-5-[(2-methyl-1,3-thiazol-5-yl)methylamino]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 61281034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).