4-chloro-5-methyl-6-octan-2-yloxypyrimidine

C13H21ClN2O — CID 55231392

IUPAC4-chloro-5-methyl-6-octan-2-yloxypyrimidine
SMILESCCCCCCC(C)Oc1ncnc(Cl)c1C
InChIInChI=1S/C13H21ClN2O/c1-4-5-6-7-8-10(2)17-13-11(3)12(14)15-9-16-13/h9-10H,4-8H2,1-3H3
InChIKeyFRLIPOLZIXJPLH-UHFFFAOYSA-N
MW256.78 g/mol
LogP4.18
Rot. Bonds7

About 4-chloro-5-methyl-6-octan-2-yloxypyrimidine

4-chloro-5-methyl-6-octan-2-yloxypyrimidine (PubChem CID 55231392) has the molecular formula C13H21ClN2O and a molecular weight of 256.78 g/mol. Its IUPAC name is 4-chloro-5-methyl-6-octan-2-yloxypyrimidine.

Molecular Properties

Compound Name4-chloro-5-methyl-6-octan-2-yloxypyrimidine
PubChem CID55231392
Molecular FormulaC13H21ClN2O
Molecular Weight256.78 g/mol
Exact Mass256.13
IUPAC Name4-chloro-5-methyl-6-octan-2-yloxypyrimidine
SMILESCCCCCCC(C)Oc1ncnc(Cl)c1C
InChIInChI=1S/C13H21ClN2O/c1-4-5-6-7-8-10(2)17-13-11(3)12(14)15-9-16-13/h9-10H,4-8H2,1-3H3
InChIKeyFRLIPOLZIXJPLH-UHFFFAOYSA-N
XLogP4.18
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.78
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-6-octan-2-yloxy-5-propylpyrimidin-4-amine
CID 80862141
(5-chloro-6-octan-2-yloxy-3-pyridinyl)methanol
CID 61255716
5-chloro-6-octan-2-yloxypyridine-3-carboxylic acid
CID 43127392
N-ethyl-5-methyl-4-octan-2-yloxypyrimidin-2-amine
CID 80861672
4-chloro-2,5-dimethyl-6-pentan-2-yloxypyrimidine
CID 102981563
3-octan-2-yloxypyrazine-2-carboxylic acid
CID 55107810
4-(chloromethyl)-1-octan-2-yloxyisoquinoline
CID 106769438
4,6-dimethyl-2-octan-2-yloxypyridine-3-carbonitrile
CID 63512377
1-methyl-4-tetradecan-2-yloxybenzene
CID 54164810
5-iodo-2-octan-2-yloxypyrimidine
CID 116649161
N,5-dimethyl-6-octan-2-yloxy-2-propan-2-ylpyrimidin-4-amine
CID 80988210
4,6-dimethoxy-5-[(6R)-tridecan-6-yl]pyrimidine
CID 166688598

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methyl-6-octan-2-yloxypyrimidine?
The IUPAC name of 4-chloro-5-methyl-6-octan-2-yloxypyrimidine (CID 55231392) is 4-chloro-5-methyl-6-octan-2-yloxypyrimidine.
What is the SMILES notation for 4-chloro-5-methyl-6-octan-2-yloxypyrimidine?
The canonical SMILES for 4-chloro-5-methyl-6-octan-2-yloxypyrimidine is CCCCCCC(C)Oc1ncnc(Cl)c1C.
What is the InChIKey of 4-chloro-5-methyl-6-octan-2-yloxypyrimidine?
The InChIKey is FRLIPOLZIXJPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21ClN2O/c1-4-5-6-7-8-10(2)17-13-11(3)12(14)15-9-16-13/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-chloro-5-methyl-6-octan-2-yloxypyrimidine?
4-chloro-5-methyl-6-octan-2-yloxypyrimidine has a molecular weight of 256.78 g/mol, XLogP of 4.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methyl-6-octan-2-yloxypyrimidine is sourced from PubChem (CID 55231392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).