1,2-dipentyl-2H-pyrimidine

C14H26N2 — CID 66633153

IUPAC1,2-dipentyl-2H-pyrimidine
SMILESCCCCCC1N=CC=CN1CCCCC
InChIInChI=1S/C14H26N2/c1-3-5-7-10-14-15-11-9-13-16(14)12-8-6-4-2/h9,11,13-14H,3-8,10,12H2,1-2H3
InChIKeyLGSZSEITQMZIHS-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.98
Rot. Bonds8

About 1,2-dipentyl-2H-pyrimidine

1,2-dipentyl-2H-pyrimidine (PubChem CID 66633153) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 1,2-dipentyl-2H-pyrimidine.

Molecular Properties

Compound Name1,2-dipentyl-2H-pyrimidine
PubChem CID66633153
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name1,2-dipentyl-2H-pyrimidine
SMILESCCCCCC1N=CC=CN1CCCCC
InChIInChI=1S/C14H26N2/c1-3-5-7-10-14-15-11-9-13-16(14)12-8-6-4-2/h9,11,13-14H,3-8,10,12H2,1-2H3
InChIKeyLGSZSEITQMZIHS-UHFFFAOYSA-N
XLogP3.98
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.98
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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Frequently Asked Questions

What is the IUPAC name of 1,2-dipentyl-2H-pyrimidine?
The IUPAC name of 1,2-dipentyl-2H-pyrimidine (CID 66633153) is 1,2-dipentyl-2H-pyrimidine.
What is the SMILES notation for 1,2-dipentyl-2H-pyrimidine?
The canonical SMILES for 1,2-dipentyl-2H-pyrimidine is CCCCCC1N=CC=CN1CCCCC.
What is the InChIKey of 1,2-dipentyl-2H-pyrimidine?
The InChIKey is LGSZSEITQMZIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-3-5-7-10-14-15-11-9-13-16(14)12-8-6-4-2/h9,11,13-14H,3-8,10,12H2,1-2H3.
What are the key properties of 1,2-dipentyl-2H-pyrimidine?
1,2-dipentyl-2H-pyrimidine has a molecular weight of 222.38 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dipentyl-2H-pyrimidine is sourced from PubChem (CID 66633153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).