6-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine

C19H22N4O — CID 3234823

IUPAC6-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCN(C)Cc1ccccc1-c1cc(N(C)Cc2ccco2)ncn1
InChIInChI=1S/C19H22N4O/c1-22(2)12-15-7-4-5-9-17(15)18-11-19(21-14-20-18)23(3)13-16-8-6-10-24-16/h4-11,14H,12-13H2,1-3H3
InChIKeyWOADBRKODXSJPI-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.43
Rot. Bonds6

About 6-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine

6-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine (PubChem CID 3234823) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 6-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
PubChem CID3234823
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name6-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine
SMILESCN(C)Cc1ccccc1-c1cc(N(C)Cc2ccco2)ncn1
InChIInChI=1S/C19H22N4O/c1-22(2)12-15-7-4-5-9-17(15)18-11-19(21-14-20-18)23(3)13-16-8-6-10-24-16/h4-11,14H,12-13H2,1-3H3
InChIKeyWOADBRKODXSJPI-UHFFFAOYSA-N
XLogP3.43
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine (CID 3234823) is 6-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine is CN(C)Cc1ccccc1-c1cc(N(C)Cc2ccco2)ncn1.
What is the InChIKey of 6-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
The InChIKey is WOADBRKODXSJPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-22(2)12-15-7-4-5-9-17(15)18-11-19(21-14-20-18)23(3)13-16-8-6-10-24-16/h4-11,14H,12-13H2,1-3H3.
What are the key properties of 6-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine?
6-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine has a molecular weight of 322.41 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(dimethylamino)methyl]phenyl]-N-(furan-2-ylmethyl)-N-methylpyrimidin-4-amine is sourced from PubChem (CID 3234823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).