2-N-(6-methoxy-5-methylpyrimidin-4-yl)-3-methylbutane-1,2-diamine

C11H20N4O — CID 66333366

IUPAC2-N-(6-methoxy-5-methylpyrimidin-4-yl)-3-methylbutane-1,2-diamine
SMILESCOc1ncnc(NC(CN)C(C)C)c1C
InChIInChI=1S/C11H20N4O/c1-7(2)9(5-12)15-10-8(3)11(16-4)14-6-13-10/h6-7,9H,5,12H2,1-4H3,(H,13,14,15)
InChIKeyXIBQQJIAPLKOFX-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.19
Rot. Bonds5

About 2-N-(6-methoxy-5-methylpyrimidin-4-yl)-3-methylbutane-1,2-diamine

2-N-(6-methoxy-5-methylpyrimidin-4-yl)-3-methylbutane-1,2-diamine (PubChem CID 66333366) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 2-N-(6-methoxy-5-methylpyrimidin-4-yl)-3-methylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(6-methoxy-5-methylpyrimidin-4-yl)-3-methylbutane-1,2-diamine
PubChem CID66333366
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name2-N-(6-methoxy-5-methylpyrimidin-4-yl)-3-methylbutane-1,2-diamine
SMILESCOc1ncnc(NC(CN)C(C)C)c1C
InChIInChI=1S/C11H20N4O/c1-7(2)9(5-12)15-10-8(3)11(16-4)14-6-13-10/h6-7,9H,5,12H2,1-4H3,(H,13,14,15)
InChIKeyXIBQQJIAPLKOFX-UHFFFAOYSA-N
XLogP1.19
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-5-methylpyrimidin-4-amine
CID 66326464
2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propanamide
CID 66327662
4-methoxy-3-N-(6-methoxy-5-methylpyrimidin-4-yl)butane-1,3-diamine
CID 114150985
4-[(6-methoxy-5-methylpyrimidin-4-yl)amino]pentanoic acid
CID 66334158
N-[1-(4-ethylphenyl)ethyl]-6-methoxy-5-methylpyrimidin-4-amine
CID 66327874
4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80841632
6-methoxy-5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
CID 66327670
N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-5-methylpyrimidin-4-amine
CID 66327883
6-methoxy-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 114182450
6-methoxy-5-methyl-N-propylpyrimidin-4-amine
CID 66326211
methyl 2-[(6-ethoxy-5-methylpyrimidin-4-yl)amino]-3-methylbutanoate
CID 66326146
(2S)-2-[(6-amino-5-methylpyrimidin-4-yl)amino]-3-methylbutan-1-ol
CID 80847962

Frequently Asked Questions

What is the IUPAC name of 2-N-(6-methoxy-5-methylpyrimidin-4-yl)-3-methylbutane-1,2-diamine?
The IUPAC name of 2-N-(6-methoxy-5-methylpyrimidin-4-yl)-3-methylbutane-1,2-diamine (CID 66333366) is 2-N-(6-methoxy-5-methylpyrimidin-4-yl)-3-methylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(6-methoxy-5-methylpyrimidin-4-yl)-3-methylbutane-1,2-diamine?
The canonical SMILES for 2-N-(6-methoxy-5-methylpyrimidin-4-yl)-3-methylbutane-1,2-diamine is COc1ncnc(NC(CN)C(C)C)c1C.
What is the InChIKey of 2-N-(6-methoxy-5-methylpyrimidin-4-yl)-3-methylbutane-1,2-diamine?
The InChIKey is XIBQQJIAPLKOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(2)9(5-12)15-10-8(3)11(16-4)14-6-13-10/h6-7,9H,5,12H2,1-4H3,(H,13,14,15).
What are the key properties of 2-N-(6-methoxy-5-methylpyrimidin-4-yl)-3-methylbutane-1,2-diamine?
2-N-(6-methoxy-5-methylpyrimidin-4-yl)-3-methylbutane-1,2-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-methoxy-5-methylpyrimidin-4-yl)-3-methylbutane-1,2-diamine is sourced from PubChem (CID 66333366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).