4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine

C12H22N4O — CID 80841632

IUPAC4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NC(COC)C(C)C)c1C
InChIInChI=1S/C12H22N4O/c1-8(2)10(6-17-5)16-12-9(3)11(13-4)14-7-15-12/h7-8,10H,6H2,1-5H3,(H2,13,14,15,16)
InChIKeyJJVCFOQADSCKRP-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.91
Rot. Bonds6

About 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine

4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine (PubChem CID 80841632) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
PubChem CID80841632
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NC(COC)C(C)C)c1C
InChIInChI=1S/C12H22N4O/c1-8(2)10(6-17-5)16-12-9(3)11(13-4)14-7-15-12/h7-8,10H,6H2,1-5H3,(H2,13,14,15,16)
InChIKeyJJVCFOQADSCKRP-UHFFFAOYSA-N
XLogP1.91
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.91
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
4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80841759
4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80841869
4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-4,5-diamine
CID 79918826
6-N,5-dimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783731
3-[[5-methyl-6-(methylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 83179964
3-bromo-2-N-(1-methoxy-3-methylbutan-2-yl)-4-methylpyridine-2,5-diamine
CID 104506932
2-N-(6-methoxy-5-methylpyrimidin-4-yl)-3-methylbutane-1,2-diamine
CID 66333366
6-(2-methoxyethoxy)-N,5-dimethylpyrimidin-4-amine
CID 80859076
5-bromo-N-(1-methoxy-3-methylbutan-2-yl)-3-methylpyridin-2-amine
CID 79718710
6-N,5-dimethyl-4-N-(1-methylsulfonylpropan-2-yl)pyrimidine-4,6-diamine
CID 80843830
4-N-[1-(diethylamino)propan-2-yl]-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80817047

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine (CID 80841632) is 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine is CNc1ncnc(NC(COC)C(C)C)c1C.
What is the InChIKey of 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine?
The InChIKey is JJVCFOQADSCKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-8(2)10(6-17-5)16-12-9(3)11(13-4)14-7-15-12/h7-8,10H,6H2,1-5H3,(H2,13,14,15,16).
What are the key properties of 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine?
4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine has a molecular weight of 238.33 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80841632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).