N-[3-fluoro-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide

C19H19FN6O — CID 118716420

IUPACN-[3-fluoro-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide
SMILESCNc1nc(NCc2ccc(NC(C)=O)cc2F)cc(-c2ccccn2)n1
InChIInChI=1S/C19H19FN6O/c1-12(27)24-14-7-6-13(15(20)9-14)11-23-18-10-17(25-19(21-2)26-18)16-5-3-4-8-22-16/h3-10H,11H2,1-2H3,(H,24,27)(H2,21,23,25,26)
InChIKeyHHYRNIOVCYHYQO-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.29
Rot. Bonds6

About N-[3-fluoro-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide

N-[3-fluoro-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide (PubChem CID 118716420) has the molecular formula C19H19FN6O and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[3-fluoro-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide
PubChem CID118716420
Molecular FormulaC19H19FN6O
Molecular Weight366.40 g/mol
Exact Mass366.16
IUPAC NameN-[3-fluoro-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide
SMILESCNc1nc(NCc2ccc(NC(C)=O)cc2F)cc(-c2ccccn2)n1
InChIInChI=1S/C19H19FN6O/c1-12(27)24-14-7-6-13(15(20)9-14)11-23-18-10-17(25-19(21-2)26-18)16-5-3-4-8-22-16/h3-10H,11H2,1-2H3,(H,24,27)(H2,21,23,25,26)
InChIKeyHHYRNIOVCYHYQO-UHFFFAOYSA-N
XLogP3.29
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-[3-fluoro-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide (CID 118716420) is N-[3-fluoro-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[3-fluoro-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[3-fluoro-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide is CNc1nc(NCc2ccc(NC(C)=O)cc2F)cc(-c2ccccn2)n1.
What is the InChIKey of N-[3-fluoro-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide?
The InChIKey is HHYRNIOVCYHYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O/c1-12(27)24-14-7-6-13(15(20)9-14)11-23-18-10-17(25-19(21-2)26-18)16-5-3-4-8-22-16/h3-10H,11H2,1-2H3,(H,24,27)(H2,21,23,25,26).
What are the key properties of N-[3-fluoro-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide?
N-[3-fluoro-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide has a molecular weight of 366.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[[[2-(methylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 118716420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).