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

C13H24N4O — CID 80841759

IUPAC4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NC(COC)C(C)C)c1C
InChIInChI=1S/C13H24N4O/c1-8(2)11(7-18-6)17-13-9(3)12(14-5)15-10(4)16-13/h8,11H,7H2,1-6H3,(H2,14,15,16,17)
InChIKeyYMADURGEIIPPEQ-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.22
Rot. Bonds6

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

4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,2,5-trimethylpyrimidine-4,6-diamine (PubChem CID 80841759) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,2,5-trimethylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
PubChem CID80841759
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,2,5-trimethylpyrimidine-4,6-diamine
SMILESCNc1nc(C)nc(NC(COC)C(C)C)c1C
InChIInChI=1S/C13H24N4O/c1-8(2)11(7-18-6)17-13-9(3)12(14-5)15-10(4)16-13/h8,11H,7H2,1-6H3,(H2,14,15,16,17)
InChIKeyYMADURGEIIPPEQ-UHFFFAOYSA-N
XLogP2.22
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80841632
3-[[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]amino]-4-methoxybutan-1-ol
CID 114152264
4-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methylpyrimidine-5-carbaldehyde
CID 80725812
4-N-butan-2-yl-6-N,2,5-trimethylpyrimidine-4,6-diamine
CID 80765465
6-N,2,5-trimethyl-4-N-(4-methylpentan-2-yl)pyrimidine-4,6-diamine
CID 80783396
4-N-(1-methoxypropan-2-yl)-4-N,6-N,2,5-tetramethylpyrimidine-4,6-diamine
CID 80809386
6-(2-methoxyethoxy)-N,2,5-trimethylpyrimidin-4-amine
CID 80859844
6-methoxy-N-(1-methoxy-3-methylbutan-2-yl)-5-methylpyrimidin-4-amine
CID 66326464
N-(1-methoxy-3-methylbutan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659786
4-N-(1-methoxy-3-methylbutan-2-yl)-2-N-methylquinazoline-2,4-diamine
CID 80841877
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N,5-dimethylpyrimidine-4,6-diamine
CID 80984500
2-[(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)amino]-3-methoxypropan-1-ol
CID 106198990

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,2,5-trimethylpyrimidine-4,6-diamine (CID 80841759) is 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,2,5-trimethylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,2,5-trimethylpyrimidine-4,6-diamine is CNc1nc(C)nc(NC(COC)C(C)C)c1C.
What is the InChIKey of 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,2,5-trimethylpyrimidine-4,6-diamine?
The InChIKey is YMADURGEIIPPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-8(2)11(7-18-6)17-13-9(3)12(14-5)15-10(4)16-13/h8,11H,7H2,1-6H3,(H2,14,15,16,17).
What are the key properties of 4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,2,5-trimethylpyrimidine-4,6-diamine?
4-N-(1-methoxy-3-methylbutan-2-yl)-6-N,2,5-trimethylpyrimidine-4,6-diamine has a molecular weight of 252.36 g/mol, XLogP of 2.22, 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,2,5-trimethylpyrimidine-4,6-diamine is sourced from PubChem (CID 80841759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).