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

C14H18N4 — CID 3234535

IUPAC2-[2-[(dimethylamino)methyl]phenyl]-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(-c2ccccc2CN(C)C)n1
InChIInChI=1S/C14H18N4/c1-15-13-8-9-16-14(17-13)12-7-5-4-6-11(12)10-18(2)3/h4-9H,10H2,1-3H3,(H,15,16,17)
InChIKeyNKJOFYWBNXZNEM-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.25
Rot. Bonds4

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

2-[2-[(dimethylamino)methyl]phenyl]-N-methylpyrimidin-4-amine (PubChem CID 3234535) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]phenyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]phenyl]-N-methylpyrimidin-4-amine
PubChem CID3234535
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-[2-[(dimethylamino)methyl]phenyl]-N-methylpyrimidin-4-amine
SMILESCNc1ccnc(-c2ccccc2CN(C)C)n1
InChIInChI=1S/C14H18N4/c1-15-13-8-9-16-14(17-13)12-7-5-4-6-11(12)10-18(2)3/h4-9H,10H2,1-3H3,(H,15,16,17)
InChIKeyNKJOFYWBNXZNEM-UHFFFAOYSA-N
XLogP2.25
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]phenyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 2-[2-[(dimethylamino)methyl]phenyl]-N-methylpyrimidin-4-amine (CID 3234535) is 2-[2-[(dimethylamino)methyl]phenyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]phenyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]phenyl]-N-methylpyrimidin-4-amine is CNc1ccnc(-c2ccccc2CN(C)C)n1.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]phenyl]-N-methylpyrimidin-4-amine?
The InChIKey is NKJOFYWBNXZNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-15-13-8-9-16-14(17-13)12-7-5-4-6-11(12)10-18(2)3/h4-9H,10H2,1-3H3,(H,15,16,17).
What are the key properties of 2-[2-[(dimethylamino)methyl]phenyl]-N-methylpyrimidin-4-amine?
2-[2-[(dimethylamino)methyl]phenyl]-N-methylpyrimidin-4-amine has a molecular weight of 242.33 g/mol, XLogP of 2.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]phenyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 3234535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).