5-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

C21H24N4O — CID 3232915

IUPAC5-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ncncc1-c1ccccc1CN(C)C
InChIInChI=1S/C21H24N4O/c1-25(2)14-17-9-4-6-10-18(17)19-13-22-15-24-21(19)23-12-16-8-5-7-11-20(16)26-3/h4-11,13,15H,12,14H2,1-3H3,(H,22,23,24)
InChIKeyGSHLEEBTZACNQS-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.83
Rot. Bonds7

About 5-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine

5-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 3232915) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 5-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID3232915
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name5-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ncncc1-c1ccccc1CN(C)C
InChIInChI=1S/C21H24N4O/c1-25(2)14-17-9-4-6-10-18(17)19-13-22-15-24-21(19)23-12-16-8-5-7-11-20(16)26-3/h4-11,13,15H,12,14H2,1-3H3,(H,22,23,24)
InChIKeyGSHLEEBTZACNQS-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 5-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 5-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (CID 3232915) is 5-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 5-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 5-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is COc1ccccc1CNc1ncncc1-c1ccccc1CN(C)C.
What is the InChIKey of 5-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is GSHLEEBTZACNQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-25(2)14-17-9-4-6-10-18(17)19-13-22-15-24-21(19)23-12-16-8-5-7-11-20(16)26-3/h4-11,13,15H,12,14H2,1-3H3,(H,22,23,24).
What are the key properties of 5-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
5-[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 5-[2-[(dimethylamino)methyl]phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 3232915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).