[4-amino-2-(methylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone

C13H13FN4O2 — CID 70954509

IUPAC[4-amino-2-(methylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCNc1ncc(C(=O)c2cc(F)ccc2OC)c(N)n1
InChIInChI=1S/C13H13FN4O2/c1-16-13-17-6-9(12(15)18-13)11(19)8-5-7(14)3-4-10(8)20-2/h3-6H,1-2H3,(H3,15,16,17,18)
InChIKeyQIRYWZHPZBTISG-UHFFFAOYSA-N
MW276.27 g/mol
LogP1.48
Rot. Bonds4

About [4-amino-2-(methylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone

[4-amino-2-(methylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone (PubChem CID 70954509) has the molecular formula C13H13FN4O2 and a molecular weight of 276.27 g/mol. Its IUPAC name is [4-amino-2-(methylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone.

Molecular Properties

Compound Name[4-amino-2-(methylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone
PubChem CID70954509
Molecular FormulaC13H13FN4O2
Molecular Weight276.27 g/mol
Exact Mass276.10
IUPAC Name[4-amino-2-(methylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone
SMILESCNc1ncc(C(=O)c2cc(F)ccc2OC)c(N)n1
InChIInChI=1S/C13H13FN4O2/c1-16-13-17-6-9(12(15)18-13)11(19)8-5-7(14)3-4-10(8)20-2/h3-6H,1-2H3,(H3,15,16,17,18)
InChIKeyQIRYWZHPZBTISG-UHFFFAOYSA-N
XLogP1.48
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.27
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-amino-2-(methylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone?
The IUPAC name of [4-amino-2-(methylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone (CID 70954509) is [4-amino-2-(methylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone.
What is the SMILES notation for [4-amino-2-(methylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone?
The canonical SMILES for [4-amino-2-(methylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone is CNc1ncc(C(=O)c2cc(F)ccc2OC)c(N)n1.
What is the InChIKey of [4-amino-2-(methylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone?
The InChIKey is QIRYWZHPZBTISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O2/c1-16-13-17-6-9(12(15)18-13)11(19)8-5-7(14)3-4-10(8)20-2/h3-6H,1-2H3,(H3,15,16,17,18).
What are the key properties of [4-amino-2-(methylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone?
[4-amino-2-(methylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone has a molecular weight of 276.27 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-2-(methylamino)pyrimidin-5-yl]-(5-fluoro-2-methoxyphenyl)methanone is sourced from PubChem (CID 70954509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).