2-[[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide

C18H28N6O3S — CID 9174283

IUPAC2-[[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
SMILESCCCn1c(N)c(-c2csc(CN(C)CC(=O)NC(C)C)n2)c(=O)n(C)c1=O
InChIInChI=1S/C18H28N6O3S/c1-6-7-24-16(19)15(17(26)23(5)18(24)27)12-10-28-14(21-12)9-22(4)8-13(25)20-11(2)3/h10-11H,6-9,19H2,1-5H3,(H,20,25)
InChIKeyXTCIZAZDMMZCIP-UHFFFAOYSA-N
MW408.53 g/mol
LogP0.62
Rot. Bonds8

About 2-[[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide

2-[[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide (PubChem CID 9174283) has the molecular formula C18H28N6O3S and a molecular weight of 408.53 g/mol. Its IUPAC name is 2-[[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
PubChem CID9174283
Molecular FormulaC18H28N6O3S
Molecular Weight408.53 g/mol
Exact Mass408.19
IUPAC Name2-[[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide
SMILESCCCn1c(N)c(-c2csc(CN(C)CC(=O)NC(C)C)n2)c(=O)n(C)c1=O
InChIInChI=1S/C18H28N6O3S/c1-6-7-24-16(19)15(17(26)23(5)18(24)27)12-10-28-14(21-12)9-22(4)8-13(25)20-11(2)3/h10-11H,6-9,19H2,1-5H3,(H,20,25)
InChIKeyXTCIZAZDMMZCIP-UHFFFAOYSA-N
XLogP0.62
TPSA115.25 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.53
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide (CID 9174283) is 2-[[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide is CCCn1c(N)c(-c2csc(CN(C)CC(=O)NC(C)C)n2)c(=O)n(C)c1=O.
What is the InChIKey of 2-[[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide?
The InChIKey is XTCIZAZDMMZCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O3S/c1-6-7-24-16(19)15(17(26)23(5)18(24)27)12-10-28-14(21-12)9-22(4)8-13(25)20-11(2)3/h10-11H,6-9,19H2,1-5H3,(H,20,25).
What are the key properties of 2-[[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide?
2-[[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide has a molecular weight of 408.53 g/mol, XLogP of 0.62, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)-1,3-thiazol-2-yl]methyl-methylamino]-N-propan-2-ylacetamide is sourced from PubChem (CID 9174283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).