4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine

C13H24N4 — CID 103466542

IUPAC4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCC(C)(C)CC)c1C
InChIInChI=1S/C13H24N4/c1-6-13(4,5)8-15-12-10(3)11(14-7-2)16-9-17-12/h9H,6-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyRUAUONILTKCMPP-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.06
Rot. Bonds6

About 4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine

4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine (PubChem CID 103466542) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
PubChem CID103466542
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCC(C)(C)CC)c1C
InChIInChI=1S/C13H24N4/c1-6-13(4,5)8-15-12-10(3)11(14-7-2)16-9-17-12/h9H,6-8H2,1-5H3,(H2,14,15,16,17)
InChIKeyRUAUONILTKCMPP-UHFFFAOYSA-N
XLogP3.06
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine (CID 103466542) is 4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine is CCNc1ncnc(NCC(C)(C)CC)c1C.
What is the InChIKey of 4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
The InChIKey is RUAUONILTKCMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-13(4,5)8-15-12-10(3)11(14-7-2)16-9-17-12/h9H,6-8H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine?
4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine has a molecular weight of 236.36 g/mol, XLogP of 3.06, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-dimethylbutyl)-6-N-ethyl-5-methylpyrimidine-4,6-diamine is sourced from PubChem (CID 103466542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).