6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide

C11H18N4O — CID 107551256

IUPAC6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(OC(C)CCC)n1
InChIInChI=1S/C11H18N4O/c1-4-5-8(3)16-11-14-7(2)6-9(15-11)10(12)13/h6,8H,4-5H2,1-3H3,(H3,12,13)
InChIKeyXRLXWFNUBVESLR-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.64
Rot. Bonds5

About 6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide

6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide (PubChem CID 107551256) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide.

Molecular Properties

Compound Name6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide
PubChem CID107551256
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(OC(C)CCC)n1
InChIInChI=1S/C11H18N4O/c1-4-5-8(3)16-11-14-7(2)6-9(15-11)10(12)13/h6,8H,4-5H2,1-3H3,(H3,12,13)
InChIKeyXRLXWFNUBVESLR-UHFFFAOYSA-N
XLogP1.64
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-2-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboximidamide
CID 107551174
2-(2-ethoxyethoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550869
2-(3-methoxypropoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551032
2-(2,5-dimethylpyrazol-3-yl)oxy-6-methylpyrimidine-4-carboximidamide
CID 107551190
6-methyl-2-pentan-2-yloxypyrimidine-4-carbonitrile
CID 107546085
2-butan-2-yloxypyrimidine-4-carboximidamide
CID 107551031
2-(2-methoxypropylamino)-6-methylpyrimidine-4-carboximidamide
CID 107550711
6-methyl-2-(4-methylpentan-2-yloxy)pyrimidine-4-carbothioamide
CID 107548389
4,6-dimethyl-2-octan-2-yloxypyridine-3-carboximidamide
CID 61176731
6-methyl-2-(2,3,6-trimethylphenoxy)pyrimidine-4-carboximidamide
CID 107550998
2-(4-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107550822
2-(4-ethyl-2-methoxyphenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107665132

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide?
The IUPAC name of 6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide (CID 107551256) is 6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide.
What is the SMILES notation for 6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide?
The canonical SMILES for 6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(OC(C)CCC)n1.
What is the InChIKey of 6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide?
The InChIKey is XRLXWFNUBVESLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-4-5-8(3)16-11-14-7(2)6-9(15-11)10(12)13/h6,8H,4-5H2,1-3H3,(H3,12,13).
What are the key properties of 6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide?
6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide has a molecular weight of 222.29 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-pentan-2-yloxypyrimidine-4-carboximidamide is sourced from PubChem (CID 107551256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).