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

C14H15FN4 — CID 104606437

IUPACN-[(4-aminophenyl)methyl]-N-cyclopropyl-5-fluoropyrimidin-2-amine
SMILESNc1ccc(CN(c2ncc(F)cn2)C2CC2)cc1
InChIInChI=1S/C14H15FN4/c15-11-7-17-14(18-8-11)19(13-5-6-13)9-10-1-3-12(16)4-2-10/h1-4,7-8,13H,5-6,9,16H2
InChIKeyHBNYVOQIAUMCCO-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.37
Rot. Bonds4

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

N-[(4-aminophenyl)methyl]-N-cyclopropyl-5-fluoropyrimidin-2-amine (PubChem CID 104606437) has the molecular formula C14H15FN4 and a molecular weight of 258.30 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-N-cyclopropyl-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-N-cyclopropyl-5-fluoropyrimidin-2-amine
PubChem CID104606437
Molecular FormulaC14H15FN4
Molecular Weight258.30 g/mol
Exact Mass258.13
IUPAC NameN-[(4-aminophenyl)methyl]-N-cyclopropyl-5-fluoropyrimidin-2-amine
SMILESNc1ccc(CN(c2ncc(F)cn2)C2CC2)cc1
InChIInChI=1S/C14H15FN4/c15-11-7-17-14(18-8-11)19(13-5-6-13)9-10-1-3-12(16)4-2-10/h1-4,7-8,13H,5-6,9,16H2
InChIKeyHBNYVOQIAUMCCO-UHFFFAOYSA-N
XLogP2.37
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[(4-aminophenyl)methyl]-3-bromo-5-chloro-N-cyclopropylpyridin-2-amine
CID 114836415
N-[(4-aminophenyl)methyl]-3-chloro-N-cyclopropylpyridin-4-amine
CID 79840541
2-[(4-aminophenyl)methyl-cyclopropylamino]pyridine-3-carbonitrile
CID 60876489
3-[(4-aminophenyl)methyl-cyclopropylamino]pyridazine-4-carbonitrile
CID 80516550
4-[(4-aminophenyl)methyl-cyclopropylamino]-5-bromo-1H-pyrimidin-6-one
CID 136979258
N-[(4-aminophenyl)methyl]-N-cyclopropyl-7H-purin-6-amine
CID 60876484
N-[(4-aminophenyl)methyl]-N-cyclopropyl-1-methyltetrazol-5-amine
CID 63149802
4-[[methyl-(4-methylcyclohexyl)amino]methyl]aniline
CID 55135728
2-N-cyclopropyl-2-N-propylpyrimidine-2,5-diamine
CID 61147883
4-[[cyclopropyl-(3,4-dimethylcyclohexyl)amino]methyl]aniline
CID 64738781
N-[(4-aminophenyl)methyl]-N-cyclopropyl-3-fluorobenzamide
CID 43460553
N-[(2-aminophenyl)methyl]-N-cyclopropyl-5-iodopyrimidin-2-amine
CID 116648705

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropyl-5-fluoropyrimidin-2-amine?
The IUPAC name of N-[(4-aminophenyl)methyl]-N-cyclopropyl-5-fluoropyrimidin-2-amine (CID 104606437) is N-[(4-aminophenyl)methyl]-N-cyclopropyl-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-N-cyclopropyl-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-[(4-aminophenyl)methyl]-N-cyclopropyl-5-fluoropyrimidin-2-amine is Nc1ccc(CN(c2ncc(F)cn2)C2CC2)cc1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-N-cyclopropyl-5-fluoropyrimidin-2-amine?
The InChIKey is HBNYVOQIAUMCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4/c15-11-7-17-14(18-8-11)19(13-5-6-13)9-10-1-3-12(16)4-2-10/h1-4,7-8,13H,5-6,9,16H2.
What are the key properties of N-[(4-aminophenyl)methyl]-N-cyclopropyl-5-fluoropyrimidin-2-amine?
N-[(4-aminophenyl)methyl]-N-cyclopropyl-5-fluoropyrimidin-2-amine has a molecular weight of 258.30 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-N-cyclopropyl-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 104606437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).