4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

C11H20N4O — CID 80765370

IUPAC4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NCCOC)c1C(C)C
InChIInChI=1S/C11H20N4O/c1-8(2)9-10(12-3)14-7-15-11(9)13-5-6-16-4/h7-8H,5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyUQURTJBNTZALIY-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.70
Rot. Bonds6

About 4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine

4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80765370) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80765370
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
SMILESCNc1ncnc(NCCOC)c1C(C)C
InChIInChI=1S/C11H20N4O/c1-8(2)9-10(12-3)14-7-15-11(9)13-5-6-16-4/h7-8H,5-6H2,1-4H3,(H2,12,13,14,15)
InChIKeyUQURTJBNTZALIY-UHFFFAOYSA-N
XLogP1.70
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-N-methyl-4-N-(3-methylbutyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80786302
4-N-(3-methoxypropyl)-5-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80772911
4-N-(2-methoxyethyl)-6-N-methylpyrimidine-4,5,6-triamine
CID 19135072
4-N-[3-(dimethylamino)propyl]-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80777700
6-N-methyl-4-N-[4-[methyl(propan-2-yl)amino]butyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80796552
6-N-methyl-4-N-(3-methylsulfinylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 113488418
6-N-ethyl-4-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804395
6-N-methyl-5-propan-2-yl-4-N-(2,3,3-trimethylbutyl)pyrimidine-4,6-diamine
CID 83146884
6-N-methyl-4-N-(2-piperidin-1-ylethyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80804448
N-methyl-6-(2-methylpropoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80860283
6-N-methyl-4-N-(2-methyl-3-methylsulfanylpropyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80838517
4-N-(2-imidazol-1-ylethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine
CID 80809433

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine (CID 80765370) is 4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is CNc1ncnc(NCCOC)c1C(C)C.
What is the InChIKey of 4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is UQURTJBNTZALIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(2)9-10(12-3)14-7-15-11(9)13-5-6-16-4/h7-8H,5-6H2,1-4H3,(H2,12,13,14,15).
What are the key properties of 4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine?
4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 224.31 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxyethyl)-6-N-methyl-5-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80765370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).