6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-5-methylpyrimidin-4-amine

C12H21N3O2 — CID 66326464

IUPAC6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-5-methylpyrimidin-4-amine
SMILESCOCC(Nc1ncnc(OC)c1C)C(C)C
InChIInChI=1S/C12H21N3O2/c1-8(2)10(6-16-4)15-11-9(3)12(17-5)14-7-13-11/h7-8,10H,6H2,1-5H3,(H,13,14,15)
InChIKeyLKUCDKKTUVGIGB-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.88
Rot. Bonds6

About 6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-5-methylpyrimidin-4-amine

6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-5-methylpyrimidin-4-amine (PubChem CID 66326464) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is 6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-5-methylpyrimidin-4-amine
PubChem CID66326464
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-5-methylpyrimidin-4-amine
SMILESCOCC(Nc1ncnc(OC)c1C)C(C)C
InChIInChI=1S/C12H21N3O2/c1-8(2)10(6-16-4)15-11-9(3)12(17-5)14-7-13-11/h7-8,10H,6H2,1-5H3,(H,13,14,15)
InChIKeyLKUCDKKTUVGIGB-UHFFFAOYSA-N
XLogP1.88
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-N-(6-methoxy-5-methylpyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 66333366
4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80841632
4-methoxy-3-N-(6-methoxy-5-methylpyrimidin-4-yl)butane-1,3-diamine
CID 114150985
4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-4,5-diamine
CID 79918826
6-methoxy-5-methyl-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidin-4-amine
CID 66327670
2-[(6-methoxy-5-methylpyrimidin-4-yl)amino]propanamide
CID 66327662
6-methoxy-5-methyl-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]pyrimidin-4-amine
CID 114182450
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
N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-5-methylpyrimidin-4-amine
CID 66327883
5-[(6-methoxy-5-methylpyrimidin-4-yl)amino]-2-methylpentan-1-ol
CID 106162116
3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine
CID 104506932

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-5-methylpyrimidin-4-amine?
The IUPAC name of 6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-5-methylpyrimidin-4-amine (CID 66326464) is 6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-5-methylpyrimidin-4-amine is COCC(Nc1ncnc(OC)c1C)C(C)C.
What is the InChIKey of 6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-5-methylpyrimidin-4-amine?
The InChIKey is LKUCDKKTUVGIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-8(2)10(6-16-4)15-11-9(3)12(17-5)14-7-13-11/h7-8,10H,6H2,1-5H3,(H,13,14,15).
What are the key properties of 6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-5-methylpyrimidin-4-amine?
6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-5-methylpyrimidin-4-amine has a molecular weight of 239.32 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-5-methylpyrimidin-4-amine is sourced from PubChem (CID 66326464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).