N-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine

C13H15FN4 — CID 114045758

IUPACN-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCc2ccccc2N)c1F
InChIInChI=1S/C13H15FN4/c1-2-11-12(14)13(18-8-17-11)16-7-9-5-3-4-6-10(9)15/h3-6,8H,2,7,15H2,1H3,(H,16,17,18)
InChIKeyHGUJAQAERYJNMW-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.37
Rot. Bonds4

About N-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine

N-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine (PubChem CID 114045758) has the molecular formula C13H15FN4 and a molecular weight of 246.29 g/mol. Its IUPAC name is N-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
PubChem CID114045758
Molecular FormulaC13H15FN4
Molecular Weight246.29 g/mol
Exact Mass246.13
IUPAC NameN-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
SMILESCCc1ncnc(NCc2ccccc2N)c1F
InChIInChI=1S/C13H15FN4/c1-2-11-12(14)13(18-8-17-11)16-7-9-5-3-4-6-10(9)15/h3-6,8H,2,7,15H2,1H3,(H,16,17,18)
InChIKeyHGUJAQAERYJNMW-UHFFFAOYSA-N
XLogP2.37
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.37
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-[(4-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine
CID 114045737
6-ethyl-5-fluoro-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 103879890
3-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]benzenesulfonamide
CID 133418607
6-ethyl-5-fluoro-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 103867430
6-ethyl-5-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-4-amine
CID 103883732
6-ethyl-5-fluoro-N-[1-(2-methoxyphenyl)-2-methylpropan-2-yl]pyrimidin-4-amine
CID 133419789
6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine
CID 146094050
4-[(6-ethyl-5-fluoropyrimidin-4-yl)amino]-2-phenylbutan-2-ol
CID 133495880
6-ethyl-5-fluoro-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 104577121
N-[(2-aminophenyl)methyl]-2,3,5,6-tetrafluoroaniline
CID 107643970
5-[[(6-ethyl-5-fluoropyrimidin-4-yl)amino]methyl]-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 133487663
6-ethyl-5-fluoro-N-[(3-fluoro-4-methoxyphenyl)methyl]pyrimidin-4-amine
CID 133418376

Frequently Asked Questions

What is the IUPAC name of N-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The IUPAC name of N-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine (CID 114045758) is N-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine.
What is the SMILES notation for N-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The canonical SMILES for N-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine is CCc1ncnc(NCc2ccccc2N)c1F.
What is the InChIKey of N-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
The InChIKey is HGUJAQAERYJNMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4/c1-2-11-12(14)13(18-8-17-11)16-7-9-5-3-4-6-10(9)15/h3-6,8H,2,7,15H2,1H3,(H,16,17,18).
What are the key properties of N-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine?
N-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine has a molecular weight of 246.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminophenyl)methyl]-6-ethyl-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 114045758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).