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

C16H20N4 — CID 63354641

IUPAC6-cyclopropyl-2-[4-(dimethylamino)phenyl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C16H20N4/c1-17-15-10-14(11-4-5-11)18-16(19-15)12-6-8-13(9-7-12)20(2)3/h6-11H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyNODFMMZSUFWFJA-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.13
Rot. Bonds4

About 6-cyclopropyl-2-[4-(dimethylamino)phenyl]-N-methylpyrimidin-4-amine

6-cyclopropyl-2-[4-(dimethylamino)phenyl]-N-methylpyrimidin-4-amine (PubChem CID 63354641) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 6-cyclopropyl-2-[4-(dimethylamino)phenyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-cyclopropyl-2-[4-(dimethylamino)phenyl]-N-methylpyrimidin-4-amine
PubChem CID63354641
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name6-cyclopropyl-2-[4-(dimethylamino)phenyl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(C2CC2)nc(-c2ccc(N(C)C)cc2)n1
InChIInChI=1S/C16H20N4/c1-17-15-10-14(11-4-5-11)18-16(19-15)12-6-8-13(9-7-12)20(2)3/h6-11H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyNODFMMZSUFWFJA-UHFFFAOYSA-N
XLogP3.13
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[4-(dimethylamino)phenyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-cyclopropyl-2-[4-(dimethylamino)phenyl]-N-methylpyrimidin-4-amine (CID 63354641) is 6-cyclopropyl-2-[4-(dimethylamino)phenyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-cyclopropyl-2-[4-(dimethylamino)phenyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-cyclopropyl-2-[4-(dimethylamino)phenyl]-N-methylpyrimidin-4-amine is CNc1cc(C2CC2)nc(-c2ccc(N(C)C)cc2)n1.
What is the InChIKey of 6-cyclopropyl-2-[4-(dimethylamino)phenyl]-N-methylpyrimidin-4-amine?
The InChIKey is NODFMMZSUFWFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-17-15-10-14(11-4-5-11)18-16(19-15)12-6-8-13(9-7-12)20(2)3/h6-11H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 6-cyclopropyl-2-[4-(dimethylamino)phenyl]-N-methylpyrimidin-4-amine?
6-cyclopropyl-2-[4-(dimethylamino)phenyl]-N-methylpyrimidin-4-amine has a molecular weight of 268.36 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[4-(dimethylamino)phenyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 63354641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).