2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide

C11H19N5O3 — CID 60677988

IUPAC2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide
SMILESCCCn1c(N)c(NCC(=O)NC)c(=O)n(C)c1=O
InChIInChI=1S/C11H19N5O3/c1-4-5-16-9(12)8(14-6-7(17)13-2)10(18)15(3)11(16)19/h14H,4-6,12H2,1-3H3,(H,13,17)
InChIKeyKNTAPCMFAGDWBY-UHFFFAOYSA-N
MW269.30 g/mol
LogP-1.30
Rot. Bonds5

About 2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide

2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide (PubChem CID 60677988) has the molecular formula C11H19N5O3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide
PubChem CID60677988
Molecular FormulaC11H19N5O3
Molecular Weight269.30 g/mol
Exact Mass269.15
IUPAC Name2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide
SMILESCCCn1c(N)c(NCC(=O)NC)c(=O)n(C)c1=O
InChIInChI=1S/C11H19N5O3/c1-4-5-16-9(12)8(14-6-7(17)13-2)10(18)15(3)11(16)19/h14H,4-6,12H2,1-3H3,(H,13,17)
InChIKeyKNTAPCMFAGDWBY-UHFFFAOYSA-N
XLogP-1.30
TPSA111.15 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 5-1.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide?
The IUPAC name of 2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide (CID 60677988) is 2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide is CCCn1c(N)c(NCC(=O)NC)c(=O)n(C)c1=O.
What is the InChIKey of 2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide?
The InChIKey is KNTAPCMFAGDWBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3/c1-4-5-16-9(12)8(14-6-7(17)13-2)10(18)15(3)11(16)19/h14H,4-6,12H2,1-3H3,(H,13,17).
What are the key properties of 2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide?
2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide has a molecular weight of 269.30 g/mol, XLogP of -1.30, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-1-methyl-2,6-dioxo-3-propylpyrimidin-5-yl)amino]-N-methylacetamide is sourced from PubChem (CID 60677988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).