4-N-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine

C11H20N4 — CID 80765465

IUPAC4-N-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCCC(C)Nc1nc(C)nc(NC)c1C
InChIInChI=1S/C11H20N4/c1-6-7(2)13-11-8(3)10(12-5)14-9(4)15-11/h7H,6H2,1-5H3,(H2,12,13,14,15)
InChIKeyCTBWKMBSPCSKMC-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.35
Rot. Bonds4

About 4-N-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine

4-N-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80765465) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 4-N-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID80765465
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name4-N-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCCC(C)Nc1nc(C)nc(NC)c1C
InChIInChI=1S/C11H20N4/c1-6-7(2)13-11-8(3)10(12-5)14-9(4)15-11/h7H,6H2,1-5H3,(H2,12,13,14,15)
InChIKeyCTBWKMBSPCSKMC-UHFFFAOYSA-N
XLogP2.35
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine (CID 80765465) is 4-N-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine is CCC(C)Nc1nc(C)nc(NC)c1C.
What is the InChIKey of 4-N-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is CTBWKMBSPCSKMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-6-7(2)13-11-8(3)10(12-5)14-9(4)15-11/h7H,6H2,1-5H3,(H2,12,13,14,15).
What are the key properties of 4-N-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine?
4-N-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80765465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).