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

C11H20N4O — CID 79033479

IUPAC4-N-(1-methoxy-3-methylbutan-2-yl)-6-methylpyrimidine-2,4-diamine
SMILESCOCC(Nc1cc(C)nc(N)n1)C(C)C
InChIInChI=1S/C11H20N4O/c1-7(2)9(6-16-4)14-10-5-8(3)13-11(12)15-10/h5,7,9H,6H2,1-4H3,(H3,12,13,14,15)
InChIKeyFXGQYTOZVZCENM-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.45
Rot. Bonds5

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

4-N-(1-methoxy-3-methylbutan-2-yl)-6-methylpyrimidine-2,4-diamine (PubChem CID 79033479) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-N-(1-methoxy-3-methylbutan-2-yl)-6-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1-methoxy-3-methylbutan-2-yl)-6-methylpyrimidine-2,4-diamine
PubChem CID79033479
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-N-(1-methoxy-3-methylbutan-2-yl)-6-methylpyrimidine-2,4-diamine
SMILESCOCC(Nc1cc(C)nc(N)n1)C(C)C
InChIInChI=1S/C11H20N4O/c1-7(2)9(6-16-4)14-10-5-8(3)13-11(12)15-10/h5,7,9H,6H2,1-4H3,(H3,12,13,14,15)
InChIKeyFXGQYTOZVZCENM-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine
CID 80840157
4-N-(1-ethoxy-3-methylbutan-2-yl)pyrimidine-2,4,6-triamine
CID 114114612
1-[(2-amino-6-methylpyrimidin-4-yl)amino]-3-methoxypropan-2-ol
CID 78993257
6-N-(1-methoxy-3-methylbutan-2-yl)-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102718721
(2S)-2-[[2-amino-6-(methylamino)pyrimidin-4-yl]amino]-3-methylbutan-1-ol
CID 80848437
6-methyl-4-N-(3-methyl-2-propan-2-ylbutyl)pyrimidine-2,4-diamine
CID 102908872
4-N-(2-methylpentan-3-yl)pyrimidine-2,4,6-triamine
CID 80802747
6-methyl-4-N-[1-(5-methylfuran-2-yl)ethyl]pyrimidine-2,4-diamine
CID 112724390
6-N-ethyl-4-N-(1-methoxy-3-methylbutan-2-yl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80841763
2-chloro-6-[(1-methoxy-3-methylbutan-2-yl)amino]pyridine-4-carboxylic acid
CID 65048396
4-N-(1-methoxy-3-methylbutan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80841869
6-chloro-4-N-(2-methylpentan-3-yl)pyrimidine-2,4-diamine
CID 78971397

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-methoxy-3-methylbutan-2-yl)-6-methylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1-methoxy-3-methylbutan-2-yl)-6-methylpyrimidine-2,4-diamine (CID 79033479) is 4-N-(1-methoxy-3-methylbutan-2-yl)-6-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1-methoxy-3-methylbutan-2-yl)-6-methylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1-methoxy-3-methylbutan-2-yl)-6-methylpyrimidine-2,4-diamine is COCC(Nc1cc(C)nc(N)n1)C(C)C.
What is the InChIKey of 4-N-(1-methoxy-3-methylbutan-2-yl)-6-methylpyrimidine-2,4-diamine?
The InChIKey is FXGQYTOZVZCENM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-7(2)9(6-16-4)14-10-5-8(3)13-11(12)15-10/h5,7,9H,6H2,1-4H3,(H3,12,13,14,15).
What are the key properties of 4-N-(1-methoxy-3-methylbutan-2-yl)-6-methylpyrimidine-2,4-diamine?
4-N-(1-methoxy-3-methylbutan-2-yl)-6-methylpyrimidine-2,4-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.45, 5 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-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 79033479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).