N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-phenoxypyrimidin-2-amine

C18H19N5O — CID 166229235

IUPACN-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-phenoxypyrimidin-2-amine
SMILESCN(C)c1cccc(CNc2nccc(Oc3ccccc3)n2)n1
InChIInChI=1S/C18H19N5O/c1-23(2)16-10-6-7-14(21-16)13-20-18-19-12-11-17(22-18)24-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,19,20,22)
InChIKeyPRAUBBYUVSYMNA-UHFFFAOYSA-N
MW321.38 g/mol
LogP3.34
Rot. Bonds6

About N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-phenoxypyrimidin-2-amine

N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-phenoxypyrimidin-2-amine (PubChem CID 166229235) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-phenoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-phenoxypyrimidin-2-amine
PubChem CID166229235
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-phenoxypyrimidin-2-amine
SMILESCN(C)c1cccc(CNc2nccc(Oc3ccccc3)n2)n1
InChIInChI=1S/C18H19N5O/c1-23(2)16-10-6-7-14(21-16)13-20-18-19-12-11-17(22-18)24-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,19,20,22)
InChIKeyPRAUBBYUVSYMNA-UHFFFAOYSA-N
XLogP3.34
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-2-amine
CID 78898230
N,N-dimethyl-6-(methylaminomethyl)pyridin-2-amine
CID 62280515
4-ethoxy-N-(pyridin-2-ylmethyl)pyrimidin-2-amine
CID 112636546
N-[(3-cyclobutyl-1H-pyrazol-5-yl)methyl]-4-phenoxypyrimidin-2-amine
CID 167914287
2-ethyl-6-phenoxypyridine
CID 19828151
4-(3-iodophenoxy)-N-propylpyrimidin-2-amine
CID 80881871
N'-(6-phenoxy-2-pyridinyl)-N'-phenyl-N-(pyridin-2-ylmethyl)methanediamine
CID 153419194
N-(4-ethylcyclohexyl)-4-phenoxypyrimidin-2-amine
CID 167822808
4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80862544
N-[[4-[(dimethylamino)methyl]-3-fluorophenyl]methyl]-4-(4-fluorophenoxy)pyrimidin-2-amine
CID 133411339
4-phenoxy-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)pyrimidin-2-amine
CID 138050709
N'-[4-(4-fluorophenoxy)pyrimidin-2-yl]-1-(4-methoxyphenyl)-N,N-dimethylethane-1,2-diamine
CID 56553548

Frequently Asked Questions

What is the IUPAC name of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-phenoxypyrimidin-2-amine?
The IUPAC name of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-phenoxypyrimidin-2-amine (CID 166229235) is N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-phenoxypyrimidin-2-amine.
What is the SMILES notation for N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-phenoxypyrimidin-2-amine?
The canonical SMILES for N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-phenoxypyrimidin-2-amine is CN(C)c1cccc(CNc2nccc(Oc3ccccc3)n2)n1.
What is the InChIKey of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-phenoxypyrimidin-2-amine?
The InChIKey is PRAUBBYUVSYMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-23(2)16-10-6-7-14(21-16)13-20-18-19-12-11-17(22-18)24-15-8-4-3-5-9-15/h3-12H,13H2,1-2H3,(H,19,20,22).
What are the key properties of N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-phenoxypyrimidin-2-amine?
N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-phenoxypyrimidin-2-amine has a molecular weight of 321.38 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(dimethylamino)-2-pyridinyl]methyl]-4-phenoxypyrimidin-2-amine is sourced from PubChem (CID 166229235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).