2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide

C10H16N4O2 — CID 107551032

IUPAC2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(OCCCOC)n1
InChIInChI=1S/C10H16N4O2/c1-7-6-8(9(11)12)14-10(13-7)16-5-3-4-15-2/h6H,3-5H2,1-2H3,(H3,11,12)
InChIKeyHDQFBCYHCVAHHL-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.48
Rot. Bonds6

About 2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide

2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide (PubChem CID 107551032) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide.

Molecular Properties

Compound Name2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide
PubChem CID107551032
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(OCCCOC)n1
InChIInChI=1S/C10H16N4O2/c1-7-6-8(9(11)12)14-10(13-7)16-5-3-4-15-2/h6H,3-5H2,1-2H3,(H3,11,12)
InChIKeyHDQFBCYHCVAHHL-UHFFFAOYSA-N
XLogP0.48
TPSA94.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyethoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550869
2-[(2-chlorophenyl)methoxy]-6-methylpyrimidine-4-carboximidamide
CID 107550871
2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carboximidamide
CID 107551190
6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide
CID 107551256
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107665132
6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboximidamide
CID 107551174
6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide
CID 107550998
2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550822
2-(2,5-dimethylphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550824
2-(dibutylamino)-6-methylpyrimidine-4-carboximidamide
CID 107550121
4-[2-(3-methoxypropoxy)ethoxymethyl]pyridine-2-carboximidamide
CID 103177983
6-methyl-2-[methyl(2-propan-2-yloxyethyl)amino]pyrimidine-4-carboximidamide
CID 107550627

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide?
The IUPAC name of 2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide (CID 107551032) is 2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide.
What is the SMILES notation for 2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide?
The canonical SMILES for 2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(OCCCOC)n1.
What is the InChIKey of 2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide?
The InChIKey is HDQFBCYHCVAHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-6-8(9(11)12)14-10(13-7)16-5-3-4-15-2/h6H,3-5H2,1-2H3,(H3,11,12).
What are the key properties of 2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide?
2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide has a molecular weight of 224.26 g/mol, XLogP of 0.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide is sourced from PubChem (CID 107551032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).