N-[(3-aminophenyl)methyl]-5-fluoropyrimidin-2-amine

C11H11FN4 — CID 104606455

IUPACN-[(3-aminophenyl)methyl]-5-fluoropyrimidin-2-amine
SMILESNc1cccc(CNc2ncc(F)cn2)c1
InChIInChI=1S/C11H11FN4/c12-9-6-15-11(16-7-9)14-5-8-2-1-3-10(13)4-8/h1-4,6-7H,5,13H2,(H,14,15,16)
InChIKeyLDTZMVDYUFWRGW-UHFFFAOYSA-N
MW218.24 g/mol
LogP1.81
Rot. Bonds3

About N-[(3-aminophenyl)methyl]-5-fluoropyrimidin-2-amine

N-[(3-aminophenyl)methyl]-5-fluoropyrimidin-2-amine (PubChem CID 104606455) has the molecular formula C11H11FN4 and a molecular weight of 218.24 g/mol. Its IUPAC name is N-[(3-aminophenyl)methyl]-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(3-aminophenyl)methyl]-5-fluoropyrimidin-2-amine
PubChem CID104606455
Molecular FormulaC11H11FN4
Molecular Weight218.24 g/mol
Exact Mass218.10
IUPAC NameN-[(3-aminophenyl)methyl]-5-fluoropyrimidin-2-amine
SMILESNc1cccc(CNc2ncc(F)cn2)c1
InChIInChI=1S/C11H11FN4/c12-9-6-15-11(16-7-9)14-5-8-2-1-3-10(13)4-8/h1-4,6-7H,5,13H2,(H,14,15,16)
InChIKeyLDTZMVDYUFWRGW-UHFFFAOYSA-N
XLogP1.81
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.24
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-aminophenoxy)ethyl]-5-fluoropyrimidin-2-amine
CID 113432130
N-[(3-aminophenyl)methyl]-5-fluoropyridine-2-carboxamide
CID 113435776
3-N-[(3-aminophenyl)methyl]benzene-1,3-diamine
CID 20542479
3-N-[(3-aminophenyl)methyl]benzene-1,3-diamine;hydrochloride
CID 70546095
N-[(3-aminophenyl)methyl]-2,5-dichloropyrimidin-4-amine
CID 58467912
N-[[3-(aminomethyl)phenyl]methyl]-5-iodopyrimidin-2-amine
CID 116648248
N-[(3-aminophenyl)methyl]-2,5-dichloropyrimidin-4-amine;hydron;chloride
CID 87400674
6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile
CID 55084059
2-[(3-aminophenyl)methylamino]-5-fluorobenzonitrile
CID 63674317
3-[[(2,4-difluorophenyl)methylamino]methyl]aniline
CID 115211908
5-fluoro-N-(naphthalen-1-ylmethyl)pyrimidin-2-amine
CID 112703157
N-[(3-aminophenyl)methyl]-4-fluorobenzamide
CID 55083550

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminophenyl)methyl]-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[(3-aminophenyl)methyl]-5-fluoropyrimidin-2-amine (CID 104606455) is N-[(3-aminophenyl)methyl]-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[(3-aminophenyl)methyl]-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[(3-aminophenyl)methyl]-5-fluoropyrimidin-2-amine is Nc1cccc(CNc2ncc(F)cn2)c1.
What is the InChIKey of N-[(3-aminophenyl)methyl]-5-fluoropyrimidin-2-amine?
The InChIKey is LDTZMVDYUFWRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4/c12-9-6-15-11(16-7-9)14-5-8-2-1-3-10(13)4-8/h1-4,6-7H,5,13H2,(H,14,15,16).
What are the key properties of N-[(3-aminophenyl)methyl]-5-fluoropyrimidin-2-amine?
N-[(3-aminophenyl)methyl]-5-fluoropyrimidin-2-amine has a molecular weight of 218.24 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminophenyl)methyl]-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 104606455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).