4-hexyl-2-pyrimidin-2-ylpyrimidine

C14H18N4 — CID 67173308

IUPAC4-hexyl-2-pyrimidin-2-ylpyrimidine
SMILESCCCCCCc1ccnc(-c2ncccn2)n1
InChIInChI=1S/C14H18N4/c1-2-3-4-5-7-12-8-11-17-14(18-12)13-15-9-6-10-16-13/h6,8-11H,2-5,7H2,1H3
InChIKeyROAPZJJADADPIT-UHFFFAOYSA-N
MW242.33 g/mol
LogP3.06
Rot. Bonds6

About 4-hexyl-2-pyrimidin-2-ylpyrimidine

4-hexyl-2-pyrimidin-2-ylpyrimidine (PubChem CID 67173308) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-hexyl-2-pyrimidin-2-ylpyrimidine.

Molecular Properties

Compound Name4-hexyl-2-pyrimidin-2-ylpyrimidine
PubChem CID67173308
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-hexyl-2-pyrimidin-2-ylpyrimidine
SMILESCCCCCCc1ccnc(-c2ncccn2)n1
InChIInChI=1S/C14H18N4/c1-2-3-4-5-7-12-8-11-17-14(18-12)13-15-9-6-10-16-13/h6,8-11H,2-5,7H2,1H3
InChIKeyROAPZJJADADPIT-UHFFFAOYSA-N
XLogP3.06
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butoxyphenyl)-4-heptylpyrimidine
CID 54040696
2-(4-hexoxyphenyl)-4-hexylpyrimidine
CID 70349513
4-nonadecylpyrimidin-2-amine
CID 141119145
2,6-didodecylpyridine
CID 90943274
2-undecylpyridine
CID 66882765
2-pentyl-1,8-naphthyridine
CID 11481079
2,6-dipentylpyridine
CID 58097448
2-hexadecylpyridine;hydrate
CID 141211108
2-tetradecylpyridine;hydrochloride
CID 45489746
2-heptyl-1,10-phenanthroline
CID 150280165
azanium;2-tetradecylpyridine;bromide
CID 157411341
chromium;2-pentylpyridine;hydrochloride
CID 175220071

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2-pyrimidin-2-ylpyrimidine?
The IUPAC name of 4-hexyl-2-pyrimidin-2-ylpyrimidine (CID 67173308) is 4-hexyl-2-pyrimidin-2-ylpyrimidine.
What is the SMILES notation for 4-hexyl-2-pyrimidin-2-ylpyrimidine?
The canonical SMILES for 4-hexyl-2-pyrimidin-2-ylpyrimidine is CCCCCCc1ccnc(-c2ncccn2)n1.
What is the InChIKey of 4-hexyl-2-pyrimidin-2-ylpyrimidine?
The InChIKey is ROAPZJJADADPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-3-4-5-7-12-8-11-17-14(18-12)13-15-9-6-10-16-13/h6,8-11H,2-5,7H2,1H3.
What are the key properties of 4-hexyl-2-pyrimidin-2-ylpyrimidine?
4-hexyl-2-pyrimidin-2-ylpyrimidine has a molecular weight of 242.33 g/mol, XLogP of 3.06, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 67173308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).