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

C20H22N4O — CID 3235034

IUPAC2-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ccnc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C20H22N4O/c1-24(2)17-10-8-15(9-11-17)20-21-13-12-19(23-20)22-14-16-6-4-5-7-18(16)25-3/h4-13H,14H2,1-3H3,(H,21,22,23)
InChIKeyANZQRJDEQQATQH-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.83
Rot. Bonds6

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

2-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (PubChem CID 3235034) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
PubChem CID3235034
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine
SMILESCOc1ccccc1CNc1ccnc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C20H22N4O/c1-24(2)17-10-8-15(9-11-17)20-21-13-12-19(23-20)22-14-16-6-4-5-7-18(16)25-3/h4-13H,14H2,1-3H3,(H,21,22,23)
InChIKeyANZQRJDEQQATQH-UHFFFAOYSA-N
XLogP3.83
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
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-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine (CID 3235034) is 2-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is COc1ccccc1CNc1ccnc(-c2ccc(N(C)C)cc2)n1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
The InChIKey is ANZQRJDEQQATQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-24(2)17-10-8-15(9-11-17)20-21-13-12-19(23-20)22-14-16-6-4-5-7-18(16)25-3/h4-13H,14H2,1-3H3,(H,21,22,23).
What are the key properties of 2-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine?
2-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine has a molecular weight of 334.42 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-N-[(2-methoxyphenyl)methyl]pyrimidin-4-amine is sourced from PubChem (CID 3235034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).