2-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutane-1,2-diamine

C11H20N4 — CID 65192439

IUPAC2-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutane-1,2-diamine
SMILESCc1cc(C)nc(NC(CN)C(C)C)n1
InChIInChI=1S/C11H20N4/c1-7(2)10(6-12)15-11-13-8(3)5-9(4)14-11/h5,7,10H,6,12H2,1-4H3,(H,13,14,15)
InChIKeyQQFUFYBTHRCOOO-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.49
Rot. Bonds4

About 2-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutane-1,2-diamine

2-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutane-1,2-diamine (PubChem CID 65192439) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutane-1,2-diamine
PubChem CID65192439
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutane-1,2-diamine
SMILESCc1cc(C)nc(NC(CN)C(C)C)n1
InChIInChI=1S/C11H20N4/c1-7(2)10(6-12)15-11-13-8(3)5-9(4)14-11/h5,7,10H,6,12H2,1-4H3,(H,13,14,15)
InChIKeyQQFUFYBTHRCOOO-UHFFFAOYSA-N
XLogP1.49
TPSA63.83 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 ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutane-1,2-diamine (CID 65192439) is 2-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutane-1,2-diamine is Cc1cc(C)nc(NC(CN)C(C)C)n1.
What is the InChIKey of 2-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutane-1,2-diamine?
The InChIKey is QQFUFYBTHRCOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-7(2)10(6-12)15-11-13-8(3)5-9(4)14-11/h5,7,10H,6,12H2,1-4H3,(H,13,14,15).
What are the key properties of 2-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutane-1,2-diamine?
2-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutane-1,2-diamine has a molecular weight of 208.31 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4,6-dimethylpyrimidin-2-yl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 65192439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).