2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine

C11H20N4 — CID 80770422

IUPAC2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
SMILESCCCC(C)Nc1cc(C)nc(NC)n1
InChIInChI=1S/C11H20N4/c1-5-6-8(2)13-10-7-9(3)14-11(12-4)15-10/h7-8H,5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyDAUNORBPEWJINT-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.43
Rot. Bonds5

About 2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine

2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine (PubChem CID 80770422) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
PubChem CID80770422
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
SMILESCCCC(C)Nc1cc(C)nc(NC)n1
InChIInChI=1S/C11H20N4/c1-5-6-8(2)13-10-7-9(3)14-11(12-4)15-10/h7-8H,5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyDAUNORBPEWJINT-UHFFFAOYSA-N
XLogP2.43
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine (CID 80770422) is 2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine is CCCC(C)Nc1cc(C)nc(NC)n1.
What is the InChIKey of 2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine?
The InChIKey is DAUNORBPEWJINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-5-6-8(2)13-10-7-9(3)14-11(12-4)15-10/h7-8H,5-6H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine?
2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine has a molecular weight of 208.31 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 80770422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).