N-[(3-aminocyclobutyl)methyl]-5-fluoro-N-methylpyrimidin-2-amine

C10H15FN4 — CID 104606790

IUPACN-[(3-aminocyclobutyl)methyl]-5-fluoro-N-methylpyrimidin-2-amine
SMILESCN(CC1CC(N)C1)c1ncc(F)cn1
InChIInChI=1S/C10H15FN4/c1-15(6-7-2-9(12)3-7)10-13-4-8(11)5-14-10/h4-5,7,9H,2-3,6,12H2,1H3
InChIKeyHCYPQJSMZIFCEJ-UHFFFAOYSA-N
MW210.26 g/mol
LogP0.79
Rot. Bonds3

About N-[(3-aminocyclobutyl)methyl]-5-fluoro-N-methylpyrimidin-2-amine

N-[(3-aminocyclobutyl)methyl]-5-fluoro-N-methylpyrimidin-2-amine (PubChem CID 104606790) has the molecular formula C10H15FN4 and a molecular weight of 210.26 g/mol. Its IUPAC name is N-[(3-aminocyclobutyl)methyl]-5-fluoro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-aminocyclobutyl)methyl]-5-fluoro-N-methylpyrimidin-2-amine
PubChem CID104606790
Molecular FormulaC10H15FN4
Molecular Weight210.26 g/mol
Exact Mass210.13
IUPAC NameN-[(3-aminocyclobutyl)methyl]-5-fluoro-N-methylpyrimidin-2-amine
SMILESCN(CC1CC(N)C1)c1ncc(F)cn1
InChIInChI=1S/C10H15FN4/c1-15(6-7-2-9(12)3-7)10-13-4-8(11)5-14-10/h4-5,7,9H,2-3,6,12H2,1H3
InChIKeyHCYPQJSMZIFCEJ-UHFFFAOYSA-N
XLogP0.79
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclobutyl)methyl]-5-fluoro-N-methylpyrimidin-2-amine?
The IUPAC name of N-[(3-aminocyclobutyl)methyl]-5-fluoro-N-methylpyrimidin-2-amine (CID 104606790) is N-[(3-aminocyclobutyl)methyl]-5-fluoro-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-[(3-aminocyclobutyl)methyl]-5-fluoro-N-methylpyrimidin-2-amine?
The canonical SMILES for N-[(3-aminocyclobutyl)methyl]-5-fluoro-N-methylpyrimidin-2-amine is CN(CC1CC(N)C1)c1ncc(F)cn1.
What is the InChIKey of N-[(3-aminocyclobutyl)methyl]-5-fluoro-N-methylpyrimidin-2-amine?
The InChIKey is HCYPQJSMZIFCEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN4/c1-15(6-7-2-9(12)3-7)10-13-4-8(11)5-14-10/h4-5,7,9H,2-3,6,12H2,1H3.
What are the key properties of N-[(3-aminocyclobutyl)methyl]-5-fluoro-N-methylpyrimidin-2-amine?
N-[(3-aminocyclobutyl)methyl]-5-fluoro-N-methylpyrimidin-2-amine has a molecular weight of 210.26 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclobutyl)methyl]-5-fluoro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 104606790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).