4-methyl-6-octan-2-yloxypyrimidin-2-amine

C13H23N3O — CID 80861387

IUPAC4-methyl-6-octan-2-yloxypyrimidin-2-amine
SMILESCCCCCCC(C)Oc1cc(C)nc(N)n1
InChIInChI=1S/C13H23N3O/c1-4-5-6-7-8-11(3)17-12-9-10(2)15-13(14)16-12/h9,11H,4-8H2,1-3H3,(H2,14,15,16)
InChIKeyLVKGFAPSARTCJI-UHFFFAOYSA-N
MW237.35 g/mol
LogP3.10
Rot. Bonds7

About 4-methyl-6-octan-2-yloxypyrimidin-2-amine

4-methyl-6-octan-2-yloxypyrimidin-2-amine (PubChem CID 80861387) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-methyl-6-octan-2-yloxypyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-octan-2-yloxypyrimidin-2-amine
PubChem CID80861387
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-methyl-6-octan-2-yloxypyrimidin-2-amine
SMILESCCCCCCC(C)Oc1cc(C)nc(N)n1
InChIInChI=1S/C13H23N3O/c1-4-5-6-7-8-11(3)17-12-9-10(2)15-13(14)16-12/h9,11H,4-8H2,1-3H3,(H2,14,15,16)
InChIKeyLVKGFAPSARTCJI-UHFFFAOYSA-N
XLogP3.10
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-N-ethyl-6-octan-2-yloxypyrimidine-2,4-diamine
CID 80862136
6-octan-2-yloxy-2-propylpyrimidin-4-amine
CID 80949905
6-pentan-2-yloxypyrimidine-2,4-diamine
CID 102989471
4,5-dimethyl-2-octan-2-yloxyaniline
CID 114281328
4,6-dimethyl-2-octan-2-yloxypyridine-3-carbonitrile
CID 63512377
2-ethyl-N-methyl-6-octan-2-yloxypyrimidin-4-amine
CID 80942122
2-ethoxy-6-octan-2-yloxypyridin-3-amine
CID 43262496
2-[(2R)-heptan-2-yl]oxy-5-methylaniline
CID 40788230
6-bromo-2-octan-2-yloxypyrimidin-4-amine
CID 116797551
CID 18551752
CID 18551752
4,6-dimethyl-2-octan-2-yloxypyridine-3-carboximidamide
CID 61176731
N-methyl-6-octan-2-yloxy-4-(trifluoromethyl)pyridin-2-amine
CID 102719634

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-octan-2-yloxypyrimidin-2-amine?
The IUPAC name of 4-methyl-6-octan-2-yloxypyrimidin-2-amine (CID 80861387) is 4-methyl-6-octan-2-yloxypyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-octan-2-yloxypyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-octan-2-yloxypyrimidin-2-amine is CCCCCCC(C)Oc1cc(C)nc(N)n1.
What is the InChIKey of 4-methyl-6-octan-2-yloxypyrimidin-2-amine?
The InChIKey is LVKGFAPSARTCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-5-6-7-8-11(3)17-12-9-10(2)15-13(14)16-12/h9,11H,4-8H2,1-3H3,(H2,14,15,16).
What are the key properties of 4-methyl-6-octan-2-yloxypyrimidin-2-amine?
4-methyl-6-octan-2-yloxypyrimidin-2-amine has a molecular weight of 237.35 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-octan-2-yloxypyrimidin-2-amine is sourced from PubChem (CID 80861387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).