4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine

C12H24N6 — CID 114133534

IUPAC4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine
SMILESCCC(C)N(C)CCNc1cc(NC)nc(N)n1
InChIInChI=1S/C12H24N6/c1-5-9(2)18(4)7-6-15-11-8-10(14-3)16-12(13)17-11/h8-9H,5-7H2,1-4H3,(H4,13,14,15,16,17)
InChIKeyCZQKPTAJLXFOCK-UHFFFAOYSA-N
MW252.37 g/mol
LogP1.24
Rot. Bonds7

About 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine

4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine (PubChem CID 114133534) has the molecular formula C12H24N6 and a molecular weight of 252.37 g/mol. Its IUPAC name is 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine
PubChem CID114133534
Molecular FormulaC12H24N6
Molecular Weight252.37 g/mol
Exact Mass252.21
IUPAC Name4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine
SMILESCCC(C)N(C)CCNc1cc(NC)nc(N)n1
InChIInChI=1S/C12H24N6/c1-5-9(2)18(4)7-6-15-11-8-10(14-3)16-12(13)17-11/h8-9H,5-7H2,1-4H3,(H4,13,14,15,16,17)
InChIKeyCZQKPTAJLXFOCK-UHFFFAOYSA-N
XLogP1.24
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.37
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine (CID 114133534) is 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine is CCC(C)N(C)CCNc1cc(NC)nc(N)n1.
What is the InChIKey of 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is CZQKPTAJLXFOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6/c1-5-9(2)18(4)7-6-15-11-8-10(14-3)16-12(13)17-11/h8-9H,5-7H2,1-4H3,(H4,13,14,15,16,17).
What are the key properties of 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine?
4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 252.37 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 114133534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).