5-[3-(dimethylamino)butyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine

C17H25N5 — CID 69475667

IUPAC5-[3-(dimethylamino)butyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2ncc(CCC(C)N(C)C)c(N)n2)cc1
InChIInChI=1S/C17H25N5/c1-12-5-9-15(10-6-12)20-17-19-11-14(16(18)21-17)8-7-13(2)22(3)4/h5-6,9-11,13H,7-8H2,1-4H3,(H3,18,19,20,21)
InChIKeyGQELHYLIWDEUFG-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.99
Rot. Bonds6

About 5-[3-(dimethylamino)butyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine

5-[3-(dimethylamino)butyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine (PubChem CID 69475667) has the molecular formula C17H25N5 and a molecular weight of 299.42 g/mol. Its IUPAC name is 5-[3-(dimethylamino)butyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[3-(dimethylamino)butyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
PubChem CID69475667
Molecular FormulaC17H25N5
Molecular Weight299.42 g/mol
Exact Mass299.21
IUPAC Name5-[3-(dimethylamino)butyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine
SMILESCc1ccc(Nc2ncc(CCC(C)N(C)C)c(N)n2)cc1
InChIInChI=1S/C17H25N5/c1-12-5-9-15(10-6-12)20-17-19-11-14(16(18)21-17)8-7-13(2)22(3)4/h5-6,9-11,13H,7-8H2,1-4H3,(H3,18,19,20,21)
InChIKeyGQELHYLIWDEUFG-UHFFFAOYSA-N
XLogP2.99
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(dimethylamino)butyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-[3-(dimethylamino)butyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine (CID 69475667) is 5-[3-(dimethylamino)butyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[3-(dimethylamino)butyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-[3-(dimethylamino)butyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine is Cc1ccc(Nc2ncc(CCC(C)N(C)C)c(N)n2)cc1.
What is the InChIKey of 5-[3-(dimethylamino)butyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
The InChIKey is GQELHYLIWDEUFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5/c1-12-5-9-15(10-6-12)20-17-19-11-14(16(18)21-17)8-7-13(2)22(3)4/h5-6,9-11,13H,7-8H2,1-4H3,(H3,18,19,20,21).
What are the key properties of 5-[3-(dimethylamino)butyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine?
5-[3-(dimethylamino)butyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine has a molecular weight of 299.42 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(dimethylamino)butyl]-2-N-(4-methylphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 69475667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).