N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine

C18H16FN3O — CID 697244

IUPACN-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine
SMILESCc1cc(Oc2ccccc2F)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H16FN3O/c1-13-11-17(23-16-10-6-5-9-15(16)19)22-18(21-13)20-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,21,22)
InChIKeyCJCUDSNXWJATTI-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.33
Rot. Bonds5

About N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine

N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine (PubChem CID 697244) has the molecular formula C18H16FN3O and a molecular weight of 309.34 g/mol. Its IUPAC name is N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine
PubChem CID697244
Molecular FormulaC18H16FN3O
Molecular Weight309.34 g/mol
Exact Mass309.13
IUPAC NameN-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine
SMILESCc1cc(Oc2ccccc2F)nc(NCc2ccccc2)n1
InChIInChI=1S/C18H16FN3O/c1-13-11-17(23-16-10-6-5-9-15(16)19)22-18(21-13)20-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,21,22)
InChIKeyCJCUDSNXWJATTI-UHFFFAOYSA-N
XLogP4.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Enecadin
CID 6433114
4-(4-Fluorophenyl)-2-methyl-6-(5-piperidinopentyloxy)pyrimidine hydrochloride
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N*2*-Benzyl-N*4*-(4-methoxy-phenyl)-6-methyl-pyrimidine-2,4-diamine
CID 807557
N-(4,6-dimethylpyrimidin-2-yl)-N'-[2-(4-methoxyphenyl)ethyl]guanidine
CID 3013233
4-(4-Methoxyphenyl)-6-phenylpyrimidin-2-amine
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2,4-Diphenyl-6-(3-pyrrolidin-1-ylpropoxy)pyrimidine
CID 118723352
5-(Aminomethyl)-6-(2-methoxyphenyl)-2-phenylpyrimidin-4-amine
CID 10236557
6-(4-Methoxyphenyl)-N~4~-Octylpyrimidine-2,4-Diamine
CID 75815438
6-(5-Phenoxypentyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride
CID 155532752
6-(3-Phenoxypropyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride
CID 155555730
(4,6-Dimethyl-pyrimidin-2-yl)-(4-methoxy-benzyl)-cyanamide
CID 3152233

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine?
The IUPAC name of N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine (CID 697244) is N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine?
The canonical SMILES for N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine is Cc1cc(Oc2ccccc2F)nc(NCc2ccccc2)n1.
What is the InChIKey of N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine?
The InChIKey is CJCUDSNXWJATTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O/c1-13-11-17(23-16-10-6-5-9-15(16)19)22-18(21-13)20-12-14-7-3-2-4-8-14/h2-11H,12H2,1H3,(H,20,21,22).
What are the key properties of N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine?
N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine has a molecular weight of 309.34 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2-fluorophenoxy)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 697244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).