N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoro-N-methylacetamide

C7H8F3N5O2 — CID 137273006

IUPACN-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)c1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C7H8F3N5O2/c1-15(5(17)7(8,9)10)2-3(11)13-6(12)14-4(2)16/h1H3,(H5,11,12,13,14,16)
InChIKeyYKCSQGPJJZNCQD-UHFFFAOYSA-N
MW251.17 g/mol
LogP-0.54
Rot. Bonds1

About N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoro-N-methylacetamide

N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoro-N-methylacetamide (PubChem CID 137273006) has the molecular formula C7H8F3N5O2 and a molecular weight of 251.17 g/mol. Its IUPAC name is N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoro-N-methylacetamide
PubChem CID137273006
Molecular FormulaC7H8F3N5O2
Molecular Weight251.17 g/mol
Exact Mass251.06
IUPAC NameN-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoro-N-methylacetamide
SMILESCN(C(=O)C(F)(F)F)c1c(N)nc(N)[nH]c1=O
InChIInChI=1S/C7H8F3N5O2/c1-15(5(17)7(8,9)10)2-3(11)13-6(12)14-4(2)16/h1H3,(H5,11,12,13,14,16)
InChIKeyYKCSQGPJJZNCQD-UHFFFAOYSA-N
XLogP-0.54
TPSA118.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 5-0.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoro-N-methylacetamide?
The IUPAC name of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoro-N-methylacetamide (CID 137273006) is N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoro-N-methylacetamide.
What is the SMILES notation for N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoro-N-methylacetamide?
The canonical SMILES for N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoro-N-methylacetamide is CN(C(=O)C(F)(F)F)c1c(N)nc(N)[nH]c1=O.
What is the InChIKey of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoro-N-methylacetamide?
The InChIKey is YKCSQGPJJZNCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N5O2/c1-15(5(17)7(8,9)10)2-3(11)13-6(12)14-4(2)16/h1H3,(H5,11,12,13,14,16).
What are the key properties of N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoro-N-methylacetamide?
N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoro-N-methylacetamide has a molecular weight of 251.17 g/mol, XLogP of -0.54, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-diamino-6-oxo-1H-pyrimidin-5-yl)-2,2,2-trifluoro-N-methylacetamide is sourced from PubChem (CID 137273006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).