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

C13H25N5 — CID 25130578

IUPAC6-tert-butyl-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCN(C)CCN(C)c1cc(C(C)(C)C)nc(N)n1
InChIInChI=1S/C13H25N5/c1-13(2,3)10-9-11(16-12(14)15-10)18(6)8-7-17(4)5/h9H,7-8H2,1-6H3,(H2,14,15,16)
InChIKeyYWAFSFUZSSSZBS-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.35
Rot. Bonds4

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

6-tert-butyl-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-2,4-diamine (PubChem CID 25130578) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 6-tert-butyl-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-tert-butyl-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-2,4-diamine
PubChem CID25130578
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name6-tert-butyl-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-2,4-diamine
SMILESCN(C)CCN(C)c1cc(C(C)(C)C)nc(N)n1
InChIInChI=1S/C13H25N5/c1-13(2,3)10-9-11(16-12(14)15-10)18(6)8-7-17(4)5/h9H,7-8H2,1-6H3,(H2,14,15,16)
InChIKeyYWAFSFUZSSSZBS-UHFFFAOYSA-N
XLogP1.35
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 6-tert-butyl-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-2,4-diamine (CID 25130578) is 6-tert-butyl-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-tert-butyl-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 6-tert-butyl-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-2,4-diamine is CN(C)CCN(C)c1cc(C(C)(C)C)nc(N)n1.
What is the InChIKey of 6-tert-butyl-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is YWAFSFUZSSSZBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-13(2,3)10-9-11(16-12(14)15-10)18(6)8-7-17(4)5/h9H,7-8H2,1-6H3,(H2,14,15,16).
What are the key properties of 6-tert-butyl-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-2,4-diamine?
6-tert-butyl-4-N-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 251.38 g/mol, XLogP of 1.35, 4 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-[2-(dimethylamino)ethyl]-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 25130578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).