4-[3-[(dimethylamino)methyl]-4-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine

C20H25N5 — CID 121269180

IUPAC4-[3-[(dimethylamino)methyl]-4-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-n3cc(C)c(CN(C)C)c3)n2)c1
InChIInChI=1S/C20H25N5/c1-14-8-15(2)10-18(9-14)22-20-21-7-6-19(23-20)25-11-16(3)17(13-25)12-24(4)5/h6-11,13H,12H2,1-5H3,(H,21,22,23)
InChIKeyUDGFLVFNRPXBCU-UHFFFAOYSA-N
MW335.46 g/mol
LogP4.00
Rot. Bonds5

About 4-[3-[(dimethylamino)methyl]-4-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine

4-[3-[(dimethylamino)methyl]-4-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine (PubChem CID 121269180) has the molecular formula C20H25N5 and a molecular weight of 335.46 g/mol. Its IUPAC name is 4-[3-[(dimethylamino)methyl]-4-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-[(dimethylamino)methyl]-4-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
PubChem CID121269180
Molecular FormulaC20H25N5
Molecular Weight335.46 g/mol
Exact Mass335.21
IUPAC Name4-[3-[(dimethylamino)methyl]-4-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine
SMILESCc1cc(C)cc(Nc2nccc(-n3cc(C)c(CN(C)C)c3)n2)c1
InChIInChI=1S/C20H25N5/c1-14-8-15(2)10-18(9-14)22-20-21-7-6-19(23-20)25-11-16(3)17(13-25)12-24(4)5/h6-11,13H,12H2,1-5H3,(H,21,22,23)
InChIKeyUDGFLVFNRPXBCU-UHFFFAOYSA-N
XLogP4.00
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.46
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(dimethylamino)methyl]-4-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-[3-[(dimethylamino)methyl]-4-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine (CID 121269180) is 4-[3-[(dimethylamino)methyl]-4-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[3-[(dimethylamino)methyl]-4-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-[3-[(dimethylamino)methyl]-4-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine is Cc1cc(C)cc(Nc2nccc(-n3cc(C)c(CN(C)C)c3)n2)c1.
What is the InChIKey of 4-[3-[(dimethylamino)methyl]-4-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
The InChIKey is UDGFLVFNRPXBCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5/c1-14-8-15(2)10-18(9-14)22-20-21-7-6-19(23-20)25-11-16(3)17(13-25)12-24(4)5/h6-11,13H,12H2,1-5H3,(H,21,22,23).
What are the key properties of 4-[3-[(dimethylamino)methyl]-4-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine?
4-[3-[(dimethylamino)methyl]-4-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine has a molecular weight of 335.46 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(dimethylamino)methyl]-4-methylpyrrol-1-yl]-N-(3,5-dimethylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 121269180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).