4,6-dimethoxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-2-amine

C19H20N4O3 — CID 134706171

IUPAC4,6-dimethoxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-2-amine
SMILESCOc1ccc(C(Nc2nc(OC)cc(OC)n2)c2ccncc2)cc1
InChIInChI=1S/C19H20N4O3/c1-24-15-6-4-13(5-7-15)18(14-8-10-20-11-9-14)23-19-21-16(25-2)12-17(22-19)26-3/h4-12,18H,1-3H3,(H,21,22,23)
InChIKeyNEWOTBVUUUYZGP-UHFFFAOYSA-N
MW352.39 g/mol
LogP3.10
Rot. Bonds7

About 4,6-dimethoxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-2-amine

4,6-dimethoxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-2-amine (PubChem CID 134706171) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4,6-dimethoxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-2-amine
PubChem CID134706171
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4,6-dimethoxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-2-amine
SMILESCOc1ccc(C(Nc2nc(OC)cc(OC)n2)c2ccncc2)cc1
InChIInChI=1S/C19H20N4O3/c1-24-15-6-4-13(5-7-15)18(14-8-10-20-11-9-14)23-19-21-16(25-2)12-17(22-19)26-3/h4-12,18H,1-3H3,(H,21,22,23)
InChIKeyNEWOTBVUUUYZGP-UHFFFAOYSA-N
XLogP3.10
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-methoxy-N-[phenyl(pyridin-4-yl)methyl]aniline;dihydrochloride
CID 44657868
6-ethyl-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-4-amine
CID 72894930
4-methoxy-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyrimidin-2-amine
CID 35784614
6-methoxy-2-methyl-N-(1-pyridin-4-ylethyl)pyrimidin-4-amine
CID 66325049
N-[(3,5-dimethoxypyrazin-2-yl)-pyridin-4-ylmethyl]ethanamine
CID 105065997
N-[(4-methoxy-2-methylphenyl)-pyridin-4-ylmethyl]propan-1-amine
CID 43495597
2-(azepan-1-yl)-N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]acetamide
CID 125161673
4,6-dimethoxy-N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 115354957
N-(4,6-dimethoxypyrimidin-2-yl)-1-phenylethane-1,2-diamine
CID 115355770
N-[2-[[(S)-(4-methoxyphenyl)-pyridin-4-ylmethyl]carbamoylamino]ethyl]-2-methylpropanamide
CID 126429579
N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]-1H-pyrazole-4-carboxamide
CID 77079339
N-[(4-fluorophenyl)-pyridin-4-ylmethyl]-2-(4-methoxyphenyl)acetamide
CID 110440139

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-2-amine?
The IUPAC name of 4,6-dimethoxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-2-amine (CID 134706171) is 4,6-dimethoxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-2-amine.
What is the SMILES notation for 4,6-dimethoxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-2-amine?
The canonical SMILES for 4,6-dimethoxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-2-amine is COc1ccc(C(Nc2nc(OC)cc(OC)n2)c2ccncc2)cc1.
What is the InChIKey of 4,6-dimethoxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-2-amine?
The InChIKey is NEWOTBVUUUYZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-24-15-6-4-13(5-7-15)18(14-8-10-20-11-9-14)23-19-21-16(25-2)12-17(22-19)26-3/h4-12,18H,1-3H3,(H,21,22,23).
What are the key properties of 4,6-dimethoxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-2-amine?
4,6-dimethoxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-2-amine has a molecular weight of 352.39 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[(4-methoxyphenyl)-pyridin-4-ylmethyl]pyrimidin-2-amine is sourced from PubChem (CID 134706171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).