2-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

C21H24N4O — CID 3235009

IUPAC2-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ccnc(-c2ccccc2CN(C)C)n1
InChIInChI=1S/C21H24N4O/c1-25(2)15-17-9-4-6-10-18(17)21-22-13-12-20(24-21)23-14-16-8-5-7-11-19(16)26-3/h4-13H,14-15H2,1-3H3,(H,22,23,24)
InChIKeyJPQZYWJQEJGZSV-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.83
Rot. Bonds7

About 2-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

2-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 3235009) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID3235009
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name2-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ccnc(-c2ccccc2CN(C)C)n1
InChIInChI=1S/C21H24N4O/c1-25(2)15-17-9-4-6-10-18(17)21-22-13-12-20(24-21)23-14-16-8-5-7-11-19(16)26-3/h4-13H,14-15H2,1-3H3,(H,22,23,24)
InChIKeyJPQZYWJQEJGZSV-UHFFFAOYSA-N
XLogP3.83
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (CID 3235009) is 2-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is COc1ccccc1CNc1ccnc(-c2ccccc2CN(C)C)n1.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is JPQZYWJQEJGZSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-25(2)15-17-9-4-6-10-18(17)21-22-13-12-20(24-21)23-14-16-8-5-7-11-19(16)26-3/h4-13H,14-15H2,1-3H3,(H,22,23,24).
What are the key properties of 2-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
2-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 348.45 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 3235009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).