6-methoxy-2-propan-2-yl-4-N-prop-2-enylpyrimidine-4,5-diamine

C11H18N4O — CID 82455822

IUPAC6-methoxy-2-propan-2-yl-4-N-prop-2-enylpyrimidine-4,5-diamine
SMILESC=CCNc1nc(C(C)C)nc(OC)c1N
InChIInChI=1S/C11H18N4O/c1-5-6-13-10-8(12)11(16-4)15-9(14-10)7(2)3/h5,7H,1,6,12H2,2-4H3,(H,13,14,15)
InChIKeyIKQKOTDXLBVZRB-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.79
Rot. Bonds5

About 6-methoxy-2-propan-2-yl-4-N-prop-2-enylpyrimidine-4,5-diamine

6-methoxy-2-propan-2-yl-4-N-prop-2-enylpyrimidine-4,5-diamine (PubChem CID 82455822) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-methoxy-2-propan-2-yl-4-N-prop-2-enylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-methoxy-2-propan-2-yl-4-N-prop-2-enylpyrimidine-4,5-diamine
PubChem CID82455822
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name6-methoxy-2-propan-2-yl-4-N-prop-2-enylpyrimidine-4,5-diamine
SMILESC=CCNc1nc(C(C)C)nc(OC)c1N
InChIInChI=1S/C11H18N4O/c1-5-6-13-10-8(12)11(16-4)15-9(14-10)7(2)3/h5,7H,1,6,12H2,2-4H3,(H,13,14,15)
InChIKeyIKQKOTDXLBVZRB-UHFFFAOYSA-N
XLogP1.79
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-4-N-pentyl-2-propan-2-ylpyrimidine-4,5-diamine
CID 82455832
N-ethyl-6-methoxy-5-methyl-2-propan-2-ylpyrimidin-4-amine
CID 80989060
2-cyclopropyl-6-ethoxy-4-N-prop-2-enylpyrimidine-4,5-diamine
CID 82456230
4-N-prop-2-enylpyrimidine-2,4,5,6-tetramine
CID 69476045
N-ethyl-5-methyl-2-propan-2-yl-6-prop-2-enoxypyrimidin-4-amine
CID 80988663
6-butoxy-4-N-(3-methylbutyl)-2-propan-2-ylpyrimidine-4,5-diamine
CID 82455942
6-ethoxy-4-N-(furan-2-ylmethyl)-2-propan-2-ylpyrimidine-4,5-diamine
CID 82455871
6-(2-methoxyethoxy)-2-(oxolan-2-yl)-4-N-prop-2-enylpyrimidine-4,5-diamine
CID 82457953
2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine
CID 82456267
6-bromo-2-propan-2-yl-N-prop-2-enylpyrimidin-4-amine
CID 106194655
4-N-cycloheptyl-2-propan-2-yl-6-propoxypyrimidine-4,5-diamine
CID 82455919
4-N-prop-2-enyl-6-quinolin-8-yloxypyrimidine-4,5-diamine
CID 19135970

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-propan-2-yl-4-N-prop-2-enylpyrimidine-4,5-diamine?
The IUPAC name of 6-methoxy-2-propan-2-yl-4-N-prop-2-enylpyrimidine-4,5-diamine (CID 82455822) is 6-methoxy-2-propan-2-yl-4-N-prop-2-enylpyrimidine-4,5-diamine.
What is the SMILES notation for 6-methoxy-2-propan-2-yl-4-N-prop-2-enylpyrimidine-4,5-diamine?
The canonical SMILES for 6-methoxy-2-propan-2-yl-4-N-prop-2-enylpyrimidine-4,5-diamine is C=CCNc1nc(C(C)C)nc(OC)c1N.
What is the InChIKey of 6-methoxy-2-propan-2-yl-4-N-prop-2-enylpyrimidine-4,5-diamine?
The InChIKey is IKQKOTDXLBVZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-5-6-13-10-8(12)11(16-4)15-9(14-10)7(2)3/h5,7H,1,6,12H2,2-4H3,(H,13,14,15).
What are the key properties of 6-methoxy-2-propan-2-yl-4-N-prop-2-enylpyrimidine-4,5-diamine?
6-methoxy-2-propan-2-yl-4-N-prop-2-enylpyrimidine-4,5-diamine has a molecular weight of 222.29 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-propan-2-yl-4-N-prop-2-enylpyrimidine-4,5-diamine is sourced from PubChem (CID 82455822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).