2-[(3R)-decan-3-yl]pyrimidine

C14H24N2 — CID 177414924

IUPAC2-[(3R)-decan-3-yl]pyrimidine
SMILESCCCCCCC[C@@H](CC)c1ncccn1
InChIInChI=1S/C14H24N2/c1-3-5-6-7-8-10-13(4-2)14-15-11-9-12-16-14/h9,11-13H,3-8,10H2,1-2H3/t13-/m1/s1
InChIKeyRYUBUIZGIUUTPN-CYBMUJFWSA-N
MW220.36 g/mol
LogP4.33
Rot. Bonds8

About 2-[(3R)-decan-3-yl]pyrimidine

2-[(3R)-decan-3-yl]pyrimidine (PubChem CID 177414924) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[(3R)-decan-3-yl]pyrimidine.

Molecular Properties

Compound Name2-[(3R)-decan-3-yl]pyrimidine
PubChem CID177414924
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-[(3R)-decan-3-yl]pyrimidine
SMILESCCCCCCC[C@@H](CC)c1ncccn1
InChIInChI=1S/C14H24N2/c1-3-5-6-7-8-10-13(4-2)14-15-11-9-12-16-14/h9,11-13H,3-8,10H2,1-2H3/t13-/m1/s1
InChIKeyRYUBUIZGIUUTPN-CYBMUJFWSA-N
XLogP4.33
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-pentadecan-3-ylpyridine;hydrochloride
CID 175583895
2-decan-4-ylpyridine
CID 67882797
2-tridecan-6-ylpyridine
CID 139295924
N-methyl-1-pyrimidin-2-ylundecan-1-amine
CID 62600438
4-decan-3-ylpyrimidine
CID 170150821
1-methyl-2-nonan-3-ylimidazole
CID 138628571
3-dodecan-6-yl-N,N-dimethylpyridin-2-amine
CID 137465666
5-methoxy-2-tridecan-7-ylpyrimidine
CID 166765750
1-propan-2-yl-2-tridecan-3-ylimidazole
CID 69408158
octan-3-ylbenzene
CID 519547
2,5-di(octan-3-yl)thiophene
CID 151127806
2-methyl-3-tridecan-7-ylpyrazine
CID 129212900

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-decan-3-yl]pyrimidine?
The IUPAC name of 2-[(3R)-decan-3-yl]pyrimidine (CID 177414924) is 2-[(3R)-decan-3-yl]pyrimidine.
What is the SMILES notation for 2-[(3R)-decan-3-yl]pyrimidine?
The canonical SMILES for 2-[(3R)-decan-3-yl]pyrimidine is CCCCCCC[C@@H](CC)c1ncccn1.
What is the InChIKey of 2-[(3R)-decan-3-yl]pyrimidine?
The InChIKey is RYUBUIZGIUUTPN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-5-6-7-8-10-13(4-2)14-15-11-9-12-16-14/h9,11-13H,3-8,10H2,1-2H3/t13-/m1/s1.
What are the key properties of 2-[(3R)-decan-3-yl]pyrimidine?
2-[(3R)-decan-3-yl]pyrimidine has a molecular weight of 220.36 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-decan-3-yl]pyrimidine is sourced from PubChem (CID 177414924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).