4-methoxy-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]pyrimidin-2-amine

C18H18N4O2 — CID 56744605

IUPAC4-methoxy-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCc2cccnc2Oc2ccccc2C)n1
InChIInChI=1S/C18H18N4O2/c1-13-6-3-4-8-15(13)24-17-14(7-5-10-19-17)12-21-18-20-11-9-16(22-18)23-2/h3-11H,12H2,1-2H3,(H,20,21,22)
InChIKeyQXRNEGRQYFXYQY-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.59
Rot. Bonds6

About 4-methoxy-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]pyrimidin-2-amine

4-methoxy-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]pyrimidin-2-amine (PubChem CID 56744605) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 4-methoxy-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]pyrimidin-2-amine
PubChem CID56744605
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name4-methoxy-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]pyrimidin-2-amine
SMILESCOc1ccnc(NCc2cccnc2Oc2ccccc2C)n1
InChIInChI=1S/C18H18N4O2/c1-13-6-3-4-8-15(13)24-17-14(7-5-10-19-17)12-21-18-20-11-9-16(22-18)23-2/h3-11H,12H2,1-2H3,(H,20,21,22)
InChIKeyQXRNEGRQYFXYQY-UHFFFAOYSA-N
XLogP3.59
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-methoxy-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyrimidin-2-amine
CID 115586120
2-methyl-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]propan-1-amine
CID 62296801
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]quinolin-4-amine
CID 56707589
2-[[(4-methoxypyrimidin-2-yl)amino]methyl]-N,N-dimethylbenzenesulfonamide
CID 30041216
N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]-1-pyridin-3-ylmethanamine
CID 42198890
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
4-methoxy-N-[(6-methyl-2-pyridinyl)methyl]pyrimidin-2-amine
CID 78898230
N-[(1,3-dimethylpyrazol-4-yl)methyl]-4-methoxypyrimidin-2-amine
CID 112670520
1-[2-[[(4-methoxypyrimidin-2-yl)amino]methyl]phenyl]-N-propan-2-ylmethanesulfonamide
CID 17499839
4-methoxy-6-methyl-N-[(2-methylphenyl)methyl]pyrimidin-2-amine
CID 112691004
N-(4-methoxypyrimidin-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 112683349
2-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylaniline
CID 114254628

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]pyrimidin-2-amine?
The IUPAC name of 4-methoxy-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]pyrimidin-2-amine (CID 56744605) is 4-methoxy-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]pyrimidin-2-amine is COc1ccnc(NCc2cccnc2Oc2ccccc2C)n1.
What is the InChIKey of 4-methoxy-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]pyrimidin-2-amine?
The InChIKey is QXRNEGRQYFXYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-6-3-4-8-15(13)24-17-14(7-5-10-19-17)12-21-18-20-11-9-16(22-18)23-2/h3-11H,12H2,1-2H3,(H,20,21,22).
What are the key properties of 4-methoxy-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]pyrimidin-2-amine?
4-methoxy-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]pyrimidin-2-amine has a molecular weight of 322.37 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[2-(2-methylphenoxy)-3-pyridinyl]methyl]pyrimidin-2-amine is sourced from PubChem (CID 56744605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).