5-(aminomethyl)-2-(3,5-difluorophenyl)pyrimidin-4-amine

C11H10F2N4 — CID 64574548

IUPAC5-(aminomethyl)-2-(3,5-difluorophenyl)pyrimidin-4-amine
SMILESNCc1cnc(-c2cc(F)cc(F)c2)nc1N
InChIInChI=1S/C11H10F2N4/c12-8-1-6(2-9(13)3-8)11-16-5-7(4-14)10(15)17-11/h1-3,5H,4,14H2,(H2,15,16,17)
InChIKeyLOYDLJGRPROUTI-UHFFFAOYSA-N
MW236.23 g/mol
LogP1.46
Rot. Bonds2

About 5-(aminomethyl)-2-(3,5-difluorophenyl)pyrimidin-4-amine

5-(aminomethyl)-2-(3,5-difluorophenyl)pyrimidin-4-amine (PubChem CID 64574548) has the molecular formula C11H10F2N4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 5-(aminomethyl)-2-(3,5-difluorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(aminomethyl)-2-(3,5-difluorophenyl)pyrimidin-4-amine
PubChem CID64574548
Molecular FormulaC11H10F2N4
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name5-(aminomethyl)-2-(3,5-difluorophenyl)pyrimidin-4-amine
SMILESNCc1cnc(-c2cc(F)cc(F)c2)nc1N
InChIInChI=1S/C11H10F2N4/c12-8-1-6(2-9(13)3-8)11-16-5-7(4-14)10(15)17-11/h1-3,5H,4,14H2,(H2,15,16,17)
InChIKeyLOYDLJGRPROUTI-UHFFFAOYSA-N
XLogP1.46
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-(3,5-difluorophenyl)pyrimidin-4-amine?
The IUPAC name of 5-(aminomethyl)-2-(3,5-difluorophenyl)pyrimidin-4-amine (CID 64574548) is 5-(aminomethyl)-2-(3,5-difluorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(aminomethyl)-2-(3,5-difluorophenyl)pyrimidin-4-amine?
The canonical SMILES for 5-(aminomethyl)-2-(3,5-difluorophenyl)pyrimidin-4-amine is NCc1cnc(-c2cc(F)cc(F)c2)nc1N.
What is the InChIKey of 5-(aminomethyl)-2-(3,5-difluorophenyl)pyrimidin-4-amine?
The InChIKey is LOYDLJGRPROUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F2N4/c12-8-1-6(2-9(13)3-8)11-16-5-7(4-14)10(15)17-11/h1-3,5H,4,14H2,(H2,15,16,17).
What are the key properties of 5-(aminomethyl)-2-(3,5-difluorophenyl)pyrimidin-4-amine?
5-(aminomethyl)-2-(3,5-difluorophenyl)pyrimidin-4-amine has a molecular weight of 236.23 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-(3,5-difluorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 64574548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).