4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine

C16H30N4 — CID 80959806

IUPAC4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)CC(C)CC)nc(C(C)C)n1
InChIInChI=1S/C16H30N4/c1-7-13(6)11-20(9-3)15-10-14(17-8-2)18-16(19-15)12(4)5/h10,12-13H,7-9,11H2,1-6H3,(H,17,18,19)
InChIKeyLQXWQESJTYICLE-UHFFFAOYSA-N
MW278.44 g/mol
LogP3.90
Rot. Bonds8

About 4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine

4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80959806) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80959806
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCCNc1cc(N(CC)CC(C)CC)nc(C(C)C)n1
InChIInChI=1S/C16H30N4/c1-7-13(6)11-20(9-3)15-10-14(17-8-2)18-16(19-15)12(4)5/h10,12-13H,7-9,11H2,1-6H3,(H,17,18,19)
InChIKeyLQXWQESJTYICLE-UHFFFAOYSA-N
XLogP3.90
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine (CID 80959806) is 4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine is CCNc1cc(N(CC)CC(C)CC)nc(C(C)C)n1.
What is the InChIKey of 4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is LQXWQESJTYICLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-7-13(6)11-20(9-3)15-10-14(17-8-2)18-16(19-15)12(4)5/h10,12-13H,7-9,11H2,1-6H3,(H,17,18,19).
What are the key properties of 4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine?
4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 3.90, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-diethyl-4-N-(2-methylbutyl)-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80959806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).