6-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]naphthalene-2-carbonitrile

C17H13FN4 — CID 145293457

IUPAC6-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]naphthalene-2-carbonitrile
SMILESCc1ncnc(NCc2ccc3cc(C#N)ccc3c2)c1F
InChIInChI=1S/C17H13FN4/c1-11-16(18)17(22-10-21-11)20-9-13-3-5-14-6-12(8-19)2-4-15(14)7-13/h2-7,10H,9H2,1H3,(H,20,21,22)
InChIKeyXMEVJIGXNKVYAB-UHFFFAOYSA-N
MW292.32 g/mol
LogP3.56
Rot. Bonds3

About 6-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]naphthalene-2-carbonitrile

6-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]naphthalene-2-carbonitrile (PubChem CID 145293457) has the molecular formula C17H13FN4 and a molecular weight of 292.32 g/mol. Its IUPAC name is 6-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]naphthalene-2-carbonitrile.

Molecular Properties

Compound Name6-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]naphthalene-2-carbonitrile
PubChem CID145293457
Molecular FormulaC17H13FN4
Molecular Weight292.32 g/mol
Exact Mass292.11
IUPAC Name6-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]naphthalene-2-carbonitrile
SMILESCc1ncnc(NCc2ccc3cc(C#N)ccc3c2)c1F
InChIInChI=1S/C17H13FN4/c1-11-16(18)17(22-10-21-11)20-9-13-3-5-14-6-12(8-19)2-4-15(14)7-13/h2-7,10H,9H2,1H3,(H,20,21,22)
InChIKeyXMEVJIGXNKVYAB-UHFFFAOYSA-N
XLogP3.56
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.32
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[[5-fluoro-6-(3-methylquinolin-6-yl)pyrimidin-4-yl]amino]methyl]naphthalene-2-carbonitrile
CID 146200077
6-[[[6-[4-amino-3-[(E)-prop-1-enyl]phenyl]-5-fluoropyrimidin-4-yl]amino]methyl]naphthalene-2-carbonitrile
CID 129033346
[3-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanol
CID 113232104
3-[[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]methyl]benzonitrile
CID 80826065
3-[[(5-fluoro-6-quinolin-6-ylpyrimidin-4-yl)amino]methyl]quinoline-7-carbonitrile
CID 129033158
4-[[4-(trifluoromethyl)phenyl]methylamino]quinazoline-6-carbonitrile
CID 71538885
3-[[(6-ethoxy-5-methylpyrimidin-4-yl)amino]methyl]benzonitrile
CID 66325204
4-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]-3-fluorobenzonitrile
CID 65418398
2-[(4-cyanophenyl)methylamino]-4,6-dimethylpyridine-3-carbonitrile
CID 60917666
3-fluoro-4-[[(6-methylquinazolin-4-yl)amino]methyl]benzonitrile
CID 99814684
4-[[(6-amino-5-chloropyrimidin-4-yl)amino]methyl]benzonitrile
CID 106811841
2-[(3-cyanophenyl)methylamino]-3-fluoropyridine-4-carboxylic acid
CID 105382240

Frequently Asked Questions

What is the IUPAC name of 6-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]naphthalene-2-carbonitrile?
The IUPAC name of 6-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]naphthalene-2-carbonitrile (CID 145293457) is 6-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]naphthalene-2-carbonitrile.
What is the SMILES notation for 6-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]naphthalene-2-carbonitrile?
The canonical SMILES for 6-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]naphthalene-2-carbonitrile is Cc1ncnc(NCc2ccc3cc(C#N)ccc3c2)c1F.
What is the InChIKey of 6-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]naphthalene-2-carbonitrile?
The InChIKey is XMEVJIGXNKVYAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN4/c1-11-16(18)17(22-10-21-11)20-9-13-3-5-14-6-12(8-19)2-4-15(14)7-13/h2-7,10H,9H2,1H3,(H,20,21,22).
What are the key properties of 6-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]naphthalene-2-carbonitrile?
6-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]naphthalene-2-carbonitrile has a molecular weight of 292.32 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(5-fluoro-6-methylpyrimidin-4-yl)amino]methyl]naphthalene-2-carbonitrile is sourced from PubChem (CID 145293457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).