6-butan-2-yloxy-N,2-dimethylpyrimidin-4-amine

C10H17N3O — CID 80866444

IUPAC6-butan-2-yloxy-N,2-dimethylpyrimidin-4-amine
SMILESCCC(C)Oc1cc(NC)nc(C)n1
InChIInChI=1S/C10H17N3O/c1-5-7(2)14-10-6-9(11-4)12-8(3)13-10/h6-7H,5H2,1-4H3,(H,11,12,13)
InChIKeyQGVMRGRMOMRKCF-UHFFFAOYSA-N
MW195.27 g/mol
LogP2.00
Rot. Bonds4

About 6-butan-2-yloxy-N,2-dimethylpyrimidin-4-amine

6-butan-2-yloxy-N,2-dimethylpyrimidin-4-amine (PubChem CID 80866444) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 6-butan-2-yloxy-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-butan-2-yloxy-N,2-dimethylpyrimidin-4-amine
PubChem CID80866444
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name6-butan-2-yloxy-N,2-dimethylpyrimidin-4-amine
SMILESCCC(C)Oc1cc(NC)nc(C)n1
InChIInChI=1S/C10H17N3O/c1-5-7(2)14-10-6-9(11-4)12-8(3)13-10/h6-7H,5H2,1-4H3,(H,11,12,13)
InChIKeyQGVMRGRMOMRKCF-UHFFFAOYSA-N
XLogP2.00
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2R)-butan-2-yl]oxy-6-chloro-2-methylpyrimidine
CID 129367902
6-butan-2-yloxy-N-(3-chloro-4-fluorophenyl)-2-methylpyrimidin-4-amine
CID 167801224
2-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80860245
6-(2-butan-2-ylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80881121
(6-butan-2-yloxy-2-propan-2-ylpyrimidin-4-yl)hydrazine
CID 80969257
2-methyl-N-propan-2-yl-6-propan-2-yloxypyrimidin-4-amine
CID 164548789
2-ethyl-N-methyl-6-octan-2-yloxypyrimidin-4-amine
CID 80942122
2-ethyl-N-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-4-amine
CID 80942176
4-butan-2-yloxy-N-ethyl-6-methylpyrimidin-2-amine
CID 80866608
6-(2-ethylphenoxy)-N,2-dimethylpyrimidin-4-amine
CID 80874565
6-methoxy-2-methyl-N-(2-methylpentan-3-yl)pyrimidin-4-amine
CID 66324648
6-(1-ethoxypropan-2-yloxy)-N-methyl-2-phenylpyrimidin-4-amine
CID 103491721

Frequently Asked Questions

What is the IUPAC name of 6-butan-2-yloxy-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-butan-2-yloxy-N,2-dimethylpyrimidin-4-amine (CID 80866444) is 6-butan-2-yloxy-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-butan-2-yloxy-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-butan-2-yloxy-N,2-dimethylpyrimidin-4-amine is CCC(C)Oc1cc(NC)nc(C)n1.
What is the InChIKey of 6-butan-2-yloxy-N,2-dimethylpyrimidin-4-amine?
The InChIKey is QGVMRGRMOMRKCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-5-7(2)14-10-6-9(11-4)12-8(3)13-10/h6-7H,5H2,1-4H3,(H,11,12,13).
What are the key properties of 6-butan-2-yloxy-N,2-dimethylpyrimidin-4-amine?
6-butan-2-yloxy-N,2-dimethylpyrimidin-4-amine has a molecular weight of 195.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butan-2-yloxy-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80866444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).