2-methyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine

C10H18N4 — CID 64551760

IUPAC2-methyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine
SMILESCCC(C)(CN)Nc1ncc(C)cn1
InChIInChI=1S/C10H18N4/c1-4-10(3,7-11)14-9-12-5-8(2)6-13-9/h5-6H,4,7,11H2,1-3H3,(H,12,13,14)
InChIKeyXTBBEYUNQRUUFV-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.32
Rot. Bonds4

About 2-methyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine

2-methyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine (PubChem CID 64551760) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-methyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine
PubChem CID64551760
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-methyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine
SMILESCCC(C)(CN)Nc1ncc(C)cn1
InChIInChI=1S/C10H18N4/c1-4-10(3,7-11)14-9-12-5-8(2)6-13-9/h5-6H,4,7,11H2,1-3H3,(H,12,13,14)
InChIKeyXTBBEYUNQRUUFV-UHFFFAOYSA-N
XLogP1.32
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine?
The IUPAC name of 2-methyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine (CID 64551760) is 2-methyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine.
What is the SMILES notation for 2-methyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine?
The canonical SMILES for 2-methyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine is CCC(C)(CN)Nc1ncc(C)cn1.
What is the InChIKey of 2-methyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine?
The InChIKey is XTBBEYUNQRUUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-4-10(3,7-11)14-9-12-5-8(2)6-13-9/h5-6H,4,7,11H2,1-3H3,(H,12,13,14).
What are the key properties of 2-methyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine?
2-methyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine has a molecular weight of 194.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-N-(5-methylpyrimidin-2-yl)butane-1,2-diamine is sourced from PubChem (CID 64551760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).