N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine

C22H18N4O — CID 71304559

IUPACN-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine
SMILESc1ccc(CNc2cc(-c3ccc(Oc4ccccc4)nc3)ncn2)cc1
InChIInChI=1S/C22H18N4O/c1-3-7-17(8-4-1)14-23-21-13-20(25-16-26-21)18-11-12-22(24-15-18)27-19-9-5-2-6-10-19/h1-13,15-16H,14H2,(H,23,25,26)
InChIKeyYXTBOXPWMNSLCE-UHFFFAOYSA-N
MW354.41 g/mol
LogP4.94
Rot. Bonds6

About N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine

N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine (PubChem CID 71304559) has the molecular formula C22H18N4O and a molecular weight of 354.41 g/mol. Its IUPAC name is N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine
PubChem CID71304559
Molecular FormulaC22H18N4O
Molecular Weight354.41 g/mol
Exact Mass354.15
IUPAC NameN-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine
SMILESc1ccc(CNc2cc(-c3ccc(Oc4ccccc4)nc3)ncn2)cc1
InChIInChI=1S/C22H18N4O/c1-3-7-17(8-4-1)14-23-21-13-20(25-16-26-21)18-11-12-22(24-15-18)27-19-9-5-2-6-10-19/h1-13,15-16H,14H2,(H,23,25,26)
InChIKeyYXTBOXPWMNSLCE-UHFFFAOYSA-N
XLogP4.94
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[(6-phenylpyrimidin-4-yl)amino]methyl]benzoic acid
CID 108778302
4-N-benzylpyrimidine-4,6-diamine
CID 3031503
4-N-benzyl-6-N-[2-(furan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 167864610
N-benzyl-5-phenylpyridin-2-amine
CID 24949412
N-(4-phenoxyphenyl)-6-phenylpyrimidin-4-amine
CID 117089637
N-benzyl-6-(5-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)pyrimidin-4-amine
CID 11581661
6-(4-phenylphenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 10295708
6-N-benzyl-4-N,4-N-dimethylpyrimidine-4,6-diamine
CID 102080311
N-benzyl-6-but-2-ynoxypyrimidin-4-amine
CID 22599789
6-phenyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]pyrimidin-4-amine
CID 108775001
3-phenyl-2-[[6-[4-(4-phenylphenyl)phenyl]pyrimidin-4-yl]amino]propanoic acid
CID 58629329
N-[2-(5-methylfuran-2-yl)ethyl]-6-phenoxypyrimidin-4-amine
CID 155969314

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine?
The IUPAC name of N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine (CID 71304559) is N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine is c1ccc(CNc2cc(-c3ccc(Oc4ccccc4)nc3)ncn2)cc1.
What is the InChIKey of N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine?
The InChIKey is YXTBOXPWMNSLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O/c1-3-7-17(8-4-1)14-23-21-13-20(25-16-26-21)18-11-12-22(24-15-18)27-19-9-5-2-6-10-19/h1-13,15-16H,14H2,(H,23,25,26).
What are the key properties of N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine?
N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine has a molecular weight of 354.41 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(6-phenoxy-3-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 71304559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).