2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine

C13H24N4 — CID 114208177

IUPAC2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine
SMILESCCc1cc(NC(CN)C(C)(C)C)nc(C)n1
InChIInChI=1S/C13H24N4/c1-6-10-7-12(16-9(2)15-10)17-11(8-14)13(3,4)5/h7,11H,6,8,14H2,1-5H3,(H,15,16,17)
InChIKeyYJBAWZHRYYOIEJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.13
Rot. Bonds4

About 2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine

2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine (PubChem CID 114208177) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine
PubChem CID114208177
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine
SMILESCCc1cc(NC(CN)C(C)(C)C)nc(C)n1
InChIInChI=1S/C13H24N4/c1-6-10-7-12(16-9(2)15-10)17-11(8-14)13(3,4)5/h7,11H,6,8,14H2,1-5H3,(H,15,16,17)
InChIKeyYJBAWZHRYYOIEJ-UHFFFAOYSA-N
XLogP2.13
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine (CID 114208177) is 2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine is CCc1cc(NC(CN)C(C)(C)C)nc(C)n1.
What is the InChIKey of 2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine?
The InChIKey is YJBAWZHRYYOIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-10-7-12(16-9(2)15-10)17-11(8-14)13(3,4)5/h7,11H,6,8,14H2,1-5H3,(H,15,16,17).
What are the key properties of 2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine?
2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine has a molecular weight of 236.36 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-ethyl-2-methylpyrimidin-4-yl)-3,3-dimethylbutane-1,2-diamine is sourced from PubChem (CID 114208177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).