2-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine

C14H25N3O — CID 80860245

IUPAC2-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OC(C)CC(C)C)nc(C)n1
InChIInChI=1S/C14H25N3O/c1-6-7-15-13-9-14(17-12(5)16-13)18-11(4)8-10(2)3/h9-11H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyAYWMDZKYTNDFNE-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.42
Rot. Bonds7

About 2-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine

2-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine (PubChem CID 80860245) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine
PubChem CID80860245
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(OC(C)CC(C)C)nc(C)n1
InChIInChI=1S/C14H25N3O/c1-6-7-15-13-9-14(17-12(5)16-13)18-11(4)8-10(2)3/h9-11H,6-8H2,1-5H3,(H,15,16,17)
InChIKeyAYWMDZKYTNDFNE-UHFFFAOYSA-N
XLogP3.42
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-6-(1-phenylethoxy)-N-propylpyrimidin-4-amine
CID 80859945
2-methyl-6-propoxy-N-propylpyrimidin-4-amine
CID 80866216
N,2-diethyl-6-(4-methylpentan-2-yloxy)pyrimidin-4-amine
CID 80942333
2-ethyl-6-pentan-2-yloxy-N-propylpyrimidin-4-amine
CID 102989348
2-methyl-4-N-(4-methylpentyl)-6-N-propylpyrimidine-4,6-diamine
CID 80831566
6-butan-2-yloxy-N,2-dimethylpyrimidin-4-amine
CID 80866444
6-heptoxy-2-methyl-N-propylpyrimidin-4-amine
CID 80862052
6-cyclobutyloxy-2-methyl-N-propylpyrimidin-4-amine
CID 80873247
2-methyl-N-propyl-6-(3,3,3-trifluoropropoxy)pyrimidin-4-amine
CID 82959220
N-butyl-6-ethoxy-2-methylpyrimidin-4-amine
CID 66327506
6-chloro-2-methyl-N-propylpyrimidin-4-amine
CID 11074100
2-methyl-6-(2-methylphenoxy)-N-propylpyrimidin-4-amine
CID 80869254

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine?
The IUPAC name of 2-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine (CID 80860245) is 2-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine is CCCNc1cc(OC(C)CC(C)C)nc(C)n1.
What is the InChIKey of 2-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine?
The InChIKey is AYWMDZKYTNDFNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-6-7-15-13-9-14(17-12(5)16-13)18-11(4)8-10(2)3/h9-11H,6-8H2,1-5H3,(H,15,16,17).
What are the key properties of 2-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine?
2-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine has a molecular weight of 251.37 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylpentan-2-yloxy)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80860245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).