6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine

C13H19FN4 — CID 114156479

IUPAC6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine
SMILESCN1C2CCC1CC(CNc1cc(F)ncn1)C2
InChIInChI=1S/C13H19FN4/c1-18-10-2-3-11(18)5-9(4-10)7-15-13-6-12(14)16-8-17-13/h6,8-11H,2-5,7H2,1H3,(H,15,16,17)
InChIKeyIJRXWRQUVANTML-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.90
Rot. Bonds3

About 6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine

6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine (PubChem CID 114156479) has the molecular formula C13H19FN4 and a molecular weight of 250.32 g/mol. Its IUPAC name is 6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine
PubChem CID114156479
Molecular FormulaC13H19FN4
Molecular Weight250.32 g/mol
Exact Mass250.16
IUPAC Name6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine
SMILESCN1C2CCC1CC(CNc1cc(F)ncn1)C2
InChIInChI=1S/C13H19FN4/c1-18-10-2-3-11(18)5-9(4-10)7-15-13-6-12(14)16-8-17-13/h6,8-11H,2-5,7H2,1H3,(H,15,16,17)
InChIKeyIJRXWRQUVANTML-UHFFFAOYSA-N
XLogP1.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine with MolForge

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Related Compounds

6-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine
CID 61227101
3-[[(6-fluoropyrimidin-4-yl)amino]methyl]cyclobutan-1-ol
CID 115417135
N-(cyclobutylmethyl)-6-fluoropyrimidin-4-amine
CID 115416489
6-fluoro-N-(thiolan-3-ylmethyl)pyrimidin-4-amine
CID 107297717
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-2-amine
CID 61012196
2,3,5,6-tetrafluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyridin-4-amine
CID 103749818
6-chloro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-5-propan-2-ylpyrimidin-4-amine
CID 106193279
6-fluoro-N-(thiolan-2-ylmethyl)pyrimidin-4-amine
CID 115417210
5-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 65209321
2-methyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104730858
N-(cyclopropylmethyl)-6-methylsulfanylpyrimidin-4-amine
CID 106972538
1-ethyl-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]imidazol-2-amine
CID 62137313

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine?
The IUPAC name of 6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine (CID 114156479) is 6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine?
The canonical SMILES for 6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine is CN1C2CCC1CC(CNc1cc(F)ncn1)C2.
What is the InChIKey of 6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine?
The InChIKey is IJRXWRQUVANTML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4/c1-18-10-2-3-11(18)5-9(4-10)7-15-13-6-12(14)16-8-17-13/h6,8-11H,2-5,7H2,1H3,(H,15,16,17).
What are the key properties of 6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine?
6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine has a molecular weight of 250.32 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 114156479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).