2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide

C10H17N5O3 — CID 60667095

IUPAC2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H17N5O3/c1-5(2)13-6(16)4-12-7-8(11)15(3)10(18)14-9(7)17/h5,12H,4,11H2,1-3H3,(H,13,16)(H,14,17,18)
InChIKeyQIEQXRARSCLIEK-UHFFFAOYSA-N
MW255.28 g/mol
LogP-1.41
Rot. Bonds4

About 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide

2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide (PubChem CID 60667095) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide
PubChem CID60667095
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1c(N)n(C)c(=O)[nH]c1=O
InChIInChI=1S/C10H17N5O3/c1-5(2)13-6(16)4-12-7-8(11)15(3)10(18)14-9(7)17/h5,12H,4,11H2,1-3H3,(H,13,16)(H,14,17,18)
InChIKeyQIEQXRARSCLIEK-UHFFFAOYSA-N
XLogP-1.41
TPSA122.01 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-1.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide (CID 60667095) is 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1c(N)n(C)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is QIEQXRARSCLIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c1-5(2)13-6(16)4-12-7-8(11)15(3)10(18)14-9(7)17/h5,12H,4,11H2,1-3H3,(H,13,16)(H,14,17,18).
What are the key properties of 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide?
2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 255.28 g/mol, XLogP of -1.41, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1-methyl-2,4-dioxopyrimidin-5-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 60667095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).