N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2,2-trifluoroacetamide

C7H8F3N5O2 — CID 171384109

IUPACN-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2,2-trifluoroacetamide
SMILESCNc1nc(N)[nH]c(=O)c1NC(=O)C(F)(F)F
InChIInChI=1S/C7H8F3N5O2/c1-12-3-2(4(16)15-6(11)14-3)13-5(17)7(8,9)10/h1H3,(H,13,17)(H4,11,12,14,15,16)
InChIKeyVPVBIBQYDOXPER-UHFFFAOYSA-N
MW251.17 g/mol
LogP-0.11
Rot. Bonds2

About N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2,2-trifluoroacetamide

N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2,2-trifluoroacetamide (PubChem CID 171384109) has the molecular formula C7H8F3N5O2 and a molecular weight of 251.17 g/mol. Its IUPAC name is N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2,2-trifluoroacetamide
PubChem CID171384109
Molecular FormulaC7H8F3N5O2
Molecular Weight251.17 g/mol
Exact Mass251.06
IUPAC NameN-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2,2-trifluoroacetamide
SMILESCNc1nc(N)[nH]c(=O)c1NC(=O)C(F)(F)F
InChIInChI=1S/C7H8F3N5O2/c1-12-3-2(4(16)15-6(11)14-3)13-5(17)7(8,9)10/h1H3,(H,13,17)(H4,11,12,14,15,16)
InChIKeyVPVBIBQYDOXPER-UHFFFAOYSA-N
XLogP-0.11
TPSA112.90 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2,2-trifluoroacetamide (CID 171384109) is N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2,2-trifluoroacetamide is CNc1nc(N)[nH]c(=O)c1NC(=O)C(F)(F)F.
What is the InChIKey of N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2,2-trifluoroacetamide?
The InChIKey is VPVBIBQYDOXPER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N5O2/c1-12-3-2(4(16)15-6(11)14-3)13-5(17)7(8,9)10/h1H3,(H,13,17)(H4,11,12,14,15,16).
What are the key properties of N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2,2-trifluoroacetamide?
N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2,2-trifluoroacetamide has a molecular weight of 251.17 g/mol, XLogP of -0.11, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-4-(methylamino)-6-oxo-1H-pyrimidin-5-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 171384109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).