4-methyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-2-amine

C13H23N3O — CID 80882608

IUPAC4-methyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(OC(C)C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-6-7-14-13-15-10(4)8-12(16-13)17-11(5)9(2)3/h8-9,11H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyRFNNYQIWCSDYAU-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.03
Rot. Bonds6

About 4-methyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-2-amine

4-methyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-2-amine (PubChem CID 80882608) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-methyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-2-amine
PubChem CID80882608
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-methyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-2-amine
SMILESCCCNc1nc(C)cc(OC(C)C(C)C)n1
InChIInChI=1S/C13H23N3O/c1-6-7-14-13-15-10(4)8-12(16-13)17-11(5)9(2)3/h8-9,11H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyRFNNYQIWCSDYAU-UHFFFAOYSA-N
XLogP3.03
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-octoxy-N-propylpyrimidin-2-amine
CID 80862007
4-methyl-N-(2-methylsulfanylethyl)-6-propan-2-yloxypyrimidin-2-amine
CID 112637747
4-(2-methoxyethoxy)-6-methyl-N-propylpyrimidin-2-amine
CID 80858368
4-butan-2-yloxy-N-ethyl-6-methylpyrimidin-2-amine
CID 80866608
4-methyl-6-phenoxy-N-propylpyrimidin-2-amine
CID 80869700
6-(3-methylbutan-2-yloxy)-N-propyl-4-(trifluoromethyl)pyridin-2-amine
CID 102720055
4-methyl-6-(1-methylpyrazol-4-yl)oxy-N-propylpyrimidin-2-amine
CID 116794496
4-methyl-6-(oxetan-3-yloxy)-N-propylpyrimidin-2-amine
CID 102608825
4-N-(2-ethoxypropyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 113478373
2-cyclopropyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-4-amine
CID 80963301
5-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]pentan-1-ol
CID 107318107
4-N,6-dimethyl-4-N-(3-methylbutan-2-yl)-2-N-propylpyrimidine-2,4-diamine
CID 80793518

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-2-amine (CID 80882608) is 4-methyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-2-amine is CCCNc1nc(C)cc(OC(C)C(C)C)n1.
What is the InChIKey of 4-methyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-2-amine?
The InChIKey is RFNNYQIWCSDYAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-6-7-14-13-15-10(4)8-12(16-13)17-11(5)9(2)3/h8-9,11H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of 4-methyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-2-amine?
4-methyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-2-amine has a molecular weight of 237.35 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(3-methylbutan-2-yloxy)-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80882608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).