6-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N-methylpyrimidine-2,4-diamine

C14H27N5 — CID 25128829

IUPAC6-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCN(C)CCCN(C)c1cc(C(C)(C)C)nc(N)n1
InChIInChI=1S/C14H27N5/c1-14(2,3)11-10-12(17-13(15)16-11)19(6)9-7-8-18(4)5/h10H,7-9H2,1-6H3,(H2,15,16,17)
InChIKeyHHUOEIIRDZFYGY-UHFFFAOYSA-N
MW265.40 g/mol
LogP1.74
Rot. Bonds5

About 6-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N-methylpyrimidine-2,4-diamine

6-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 25128829) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 6-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N-methylpyrimidine-2,4-diamine
PubChem CID25128829
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name6-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCN(C)CCCN(C)c1cc(C(C)(C)C)nc(N)n1
InChIInChI=1S/C14H27N5/c1-14(2,3)11-10-12(17-13(15)16-11)19(6)9-7-8-18(4)5/h10H,7-9H2,1-6H3,(H2,15,16,17)
InChIKeyHHUOEIIRDZFYGY-UHFFFAOYSA-N
XLogP1.74
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N-methylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N-methylpyrimidine-2,4-diamine (CID 25128829) is 6-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N-methylpyrimidine-2,4-diamine is CN(C)CCCN(C)c1cc(C(C)(C)C)nc(N)n1.
What is the InChIKey of 6-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is HHUOEIIRDZFYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-14(2,3)11-10-12(17-13(15)16-11)19(6)9-7-8-18(4)5/h10H,7-9H2,1-6H3,(H2,15,16,17).
What are the key properties of 6-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N-methylpyrimidine-2,4-diamine?
6-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 265.40 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-N-[3-(dimethylamino)propyl]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 25128829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).