4-[(tert-butylamino)methyl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine

C16H21FN4 — CID 105384550

IUPAC4-[(tert-butylamino)methyl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine
SMILESCC(C)(C)NCc1ccnc(NCc2ccccn2)c1F
InChIInChI=1S/C16H21FN4/c1-16(2,3)21-10-12-7-9-19-15(14(12)17)20-11-13-6-4-5-8-18-13/h4-9,21H,10-11H2,1-3H3,(H,19,20)
InChIKeyAFVFKRNUPIZBFF-UHFFFAOYSA-N
MW288.37 g/mol
LogP3.12
Rot. Bonds5

About 4-[(tert-butylamino)methyl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine

4-[(tert-butylamino)methyl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine (PubChem CID 105384550) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 4-[(tert-butylamino)methyl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-[(tert-butylamino)methyl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine
PubChem CID105384550
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name4-[(tert-butylamino)methyl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine
SMILESCC(C)(C)NCc1ccnc(NCc2ccccn2)c1F
InChIInChI=1S/C16H21FN4/c1-16(2,3)21-10-12-7-9-19-15(14(12)17)20-11-13-6-4-5-8-18-13/h4-9,21H,10-11H2,1-3H3,(H,19,20)
InChIKeyAFVFKRNUPIZBFF-UHFFFAOYSA-N
XLogP3.12
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 62733415
4-[(tert-butylamino)methyl]-3-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]pyridin-2-amine
CID 105385700
4-[(tert-butylamino)methyl]-3-fluoro-N-(2-methyl-3-methylsulfanylpropyl)pyridin-2-amine
CID 105386429
N-[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]-4-methylpiperazin-1-amine
CID 105387168
2-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]-N-propylacetamide
CID 105384966
4-[(tert-butylamino)methyl]-N-(1-ethylsulfanylpropan-2-yl)-3-fluoropyridin-2-amine
CID 105387499
4-(aminomethyl)-N-tert-butyl-3-fluoropyridin-2-amine
CID 105390366
3,5-difluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 112675579
5-fluoro-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 115749808
4-[[4-[(tert-butylamino)methyl]-3-fluoro-2-pyridinyl]amino]pyrrolidin-2-one
CID 106197832
N-(pyridin-2-ylmethyl)-[1,3]dioxolo[4,5-g]isoquinolin-5-amine
CID 106537357
2-methyl-N-(3-pyridin-2-ylpropyl)propan-2-amine
CID 62549888

Frequently Asked Questions

What is the IUPAC name of 4-[(tert-butylamino)methyl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 4-[(tert-butylamino)methyl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine (CID 105384550) is 4-[(tert-butylamino)methyl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-[(tert-butylamino)methyl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 4-[(tert-butylamino)methyl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine is CC(C)(C)NCc1ccnc(NCc2ccccn2)c1F.
What is the InChIKey of 4-[(tert-butylamino)methyl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine?
The InChIKey is AFVFKRNUPIZBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c1-16(2,3)21-10-12-7-9-19-15(14(12)17)20-11-13-6-4-5-8-18-13/h4-9,21H,10-11H2,1-3H3,(H,19,20).
What are the key properties of 4-[(tert-butylamino)methyl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine?
4-[(tert-butylamino)methyl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine has a molecular weight of 288.37 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(tert-butylamino)methyl]-3-fluoro-N-(pyridin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 105384550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).