5-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyrimidin-4-amine

C16H12ClFN4O — CID 86804857

IUPAC5-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyrimidin-4-amine
SMILESFc1ccc(Oc2ccc(CNc3ncncc3Cl)cn2)cc1
InChIInChI=1S/C16H12ClFN4O/c17-14-9-19-10-22-16(14)21-8-11-1-6-15(20-7-11)23-13-4-2-12(18)3-5-13/h1-7,9-10H,8H2,(H,19,21,22)
InChIKeyPVIIYHGGSYJYTK-UHFFFAOYSA-N
MW330.75 g/mol
LogP4.07
Rot. Bonds5

About 5-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyrimidin-4-amine

5-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyrimidin-4-amine (PubChem CID 86804857) has the molecular formula C16H12ClFN4O and a molecular weight of 330.75 g/mol. Its IUPAC name is 5-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyrimidin-4-amine
PubChem CID86804857
Molecular FormulaC16H12ClFN4O
Molecular Weight330.75 g/mol
Exact Mass330.07
IUPAC Name5-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyrimidin-4-amine
SMILESFc1ccc(Oc2ccc(CNc3ncncc3Cl)cn2)cc1
InChIInChI=1S/C16H12ClFN4O/c17-14-9-19-10-22-16(14)21-8-11-1-6-15(20-7-11)23-13-4-2-12(18)3-5-13/h1-7,9-10H,8H2,(H,19,21,22)
InChIKeyPVIIYHGGSYJYTK-UHFFFAOYSA-N
XLogP4.07
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.75
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(aminomethyl)phenyl]methyl]-5-chloropyrimidin-4-amine
CID 105368920
1-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-3-[(4-fluorophenyl)methyl]-2-methylguanidine;hydroiodide
CID 111232698
4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 87020258
1-[6-(4-fluorophenoxy)-3-pyridinyl]propan-2-amine
CID 80640056
(2S)-2-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]butanamide
CID 119847800
N-[[6-(4-chloro-3-fluorophenoxy)-3-pyridinyl]methyl]ethanamine
CID 82716590
1-amino-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119847805
5-chloro-N-[(2,3-difluorophenyl)methyl]pyrimidin-4-amine
CID 171995557
N-[[5-chloro-2-(4-fluorophenoxy)-4-pyridinyl]methyl]-2-methylpropan-2-amine
CID 114928209
6-ethyl-5-fluoro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrimidin-4-amine
CID 146094050
1-[2-(3-chlorophenyl)ethyl]-3-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]urea
CID 52642916
5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine
CID 105369457

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyrimidin-4-amine (CID 86804857) is 5-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyrimidin-4-amine is Fc1ccc(Oc2ccc(CNc3ncncc3Cl)cn2)cc1.
What is the InChIKey of 5-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyrimidin-4-amine?
The InChIKey is PVIIYHGGSYJYTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClFN4O/c17-14-9-19-10-22-16(14)21-8-11-1-6-15(20-7-11)23-13-4-2-12(18)3-5-13/h1-7,9-10H,8H2,(H,19,21,22).
What are the key properties of 5-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyrimidin-4-amine?
5-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyrimidin-4-amine has a molecular weight of 330.75 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 86804857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).