5-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine

C18H20N4O — CID 3235525

IUPAC5-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCN(C)c1ccc(-c2cncnc2N(C)Cc2ccco2)cc1
InChIInChI=1S/C18H20N4O/c1-21(2)15-8-6-14(7-9-15)17-11-19-13-20-18(17)22(3)12-16-5-4-10-23-16/h4-11,13H,12H2,1-3H3
InChIKeyFHJRWKYRXYSYAG-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.44
Rot. Bonds5

About 5-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine

5-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine (PubChem CID 3235525) has the molecular formula C18H20N4O and a molecular weight of 308.39 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
PubChem CID3235525
Molecular FormulaC18H20N4O
Molecular Weight308.39 g/mol
Exact Mass308.16
IUPAC Name5-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCN(C)c1ccc(-c2cncnc2N(C)Cc2ccco2)cc1
InChIInChI=1S/C18H20N4O/c1-21(2)15-8-6-14(7-9-15)17-11-19-13-20-18(17)22(3)12-16-5-4-10-23-16/h4-11,13H,12H2,1-3H3
InChIKeyFHJRWKYRXYSYAG-UHFFFAOYSA-N
XLogP3.44
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine (CID 3235525) is 5-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine is CN(C)c1ccc(-c2cncnc2N(C)Cc2ccco2)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
The InChIKey is FHJRWKYRXYSYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-21(2)15-8-6-14(7-9-15)17-11-19-13-20-18(17)22(3)12-16-5-4-10-23-16/h4-11,13H,12H2,1-3H3.
What are the key properties of 5-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
5-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine has a molecular weight of 308.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 3235525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).