2-(7-methylnonan-4-yloxy)pyrimidine

C14H24N2O — CID 57042354

IUPAC2-(7-methylnonan-4-yloxy)pyrimidine
SMILESCCCC(CCC(C)CC)Oc1ncccn1
InChIInChI=1S/C14H24N2O/c1-4-7-13(9-8-12(3)5-2)17-14-15-10-6-11-16-14/h6,10-13H,4-5,7-9H2,1-3H3
InChIKeyLDMGCAMMBUJCRN-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.85
Rot. Bonds8

About 2-(7-methylnonan-4-yloxy)pyrimidine

2-(7-methylnonan-4-yloxy)pyrimidine (PubChem CID 57042354) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 2-(7-methylnonan-4-yloxy)pyrimidine.

Molecular Properties

Compound Name2-(7-methylnonan-4-yloxy)pyrimidine
PubChem CID57042354
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name2-(7-methylnonan-4-yloxy)pyrimidine
SMILESCCCC(CCC(C)CC)Oc1ncccn1
InChIInChI=1S/C14H24N2O/c1-4-7-13(9-8-12(3)5-2)17-14-15-10-6-11-16-14/h6,10-13H,4-5,7-9H2,1-3H3
InChIKeyLDMGCAMMBUJCRN-UHFFFAOYSA-N
XLogP3.85
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-(7-methylnonan-4-yloxy)benzene
CID 143395480
ethane;2-propan-2-yloxypyrimidine
CID 159788973
2-(3-methylpentyl)pyrimidine
CID 57256204
ethane;2-(2-methylbutyl)pyrimidine
CID 170603864
3,6-dimethylnonane;ethane;3-methylpentane
CID 143978343
(3R,6R)-3,6-dimethylnonane
CID 170848352
ethane;3-methylhexane;2-(3-methylphenyl)pyridine
CID 142164843
ethane;3,6,7,10-tetramethyldodecane
CID 143901344
4-methyl-1-pyridin-2-ylheptan-2-one
CID 62620777
1-hexan-3-yloxy-4-methylhexane
CID 142047921
1-(2-bromoethoxy)-4-(7-methylnonan-4-yl)benzene
CID 170062648
N-methyl-2-[(2-methyl-3-pyridinyl)oxy]pentan-1-amine
CID 83045840

Frequently Asked Questions

What is the IUPAC name of 2-(7-methylnonan-4-yloxy)pyrimidine?
The IUPAC name of 2-(7-methylnonan-4-yloxy)pyrimidine (CID 57042354) is 2-(7-methylnonan-4-yloxy)pyrimidine.
What is the SMILES notation for 2-(7-methylnonan-4-yloxy)pyrimidine?
The canonical SMILES for 2-(7-methylnonan-4-yloxy)pyrimidine is CCCC(CCC(C)CC)Oc1ncccn1.
What is the InChIKey of 2-(7-methylnonan-4-yloxy)pyrimidine?
The InChIKey is LDMGCAMMBUJCRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-4-7-13(9-8-12(3)5-2)17-14-15-10-6-11-16-14/h6,10-13H,4-5,7-9H2,1-3H3.
What are the key properties of 2-(7-methylnonan-4-yloxy)pyrimidine?
2-(7-methylnonan-4-yloxy)pyrimidine has a molecular weight of 236.36 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methylnonan-4-yloxy)pyrimidine is sourced from PubChem (CID 57042354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).