6-methyl-1-pentyl-2H-pyrimidine

C10H18N2 — CID 175688589

IUPAC6-methyl-1-pentyl-2H-pyrimidine
SMILESCCCCCN1CN=CC=C1C
InChIInChI=1S/C10H18N2/c1-3-4-5-8-12-9-11-7-6-10(12)2/h6-7H,3-5,8-9H2,1-2H3
InChIKeyNBKGYJQRGHFIGN-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.42
Rot. Bonds4

About 6-methyl-1-pentyl-2H-pyrimidine

6-methyl-1-pentyl-2H-pyrimidine (PubChem CID 175688589) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 6-methyl-1-pentyl-2H-pyrimidine.

Molecular Properties

Compound Name6-methyl-1-pentyl-2H-pyrimidine
PubChem CID175688589
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name6-methyl-1-pentyl-2H-pyrimidine
SMILESCCCCCN1CN=CC=C1C
InChIInChI=1S/C10H18N2/c1-3-4-5-8-12-9-11-7-6-10(12)2/h6-7H,3-5,8-9H2,1-2H3
InChIKeyNBKGYJQRGHFIGN-UHFFFAOYSA-N
XLogP2.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.42
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 6-methyl-1-pentyl-2H-pyrimidine?
The IUPAC name of 6-methyl-1-pentyl-2H-pyrimidine (CID 175688589) is 6-methyl-1-pentyl-2H-pyrimidine.
What is the SMILES notation for 6-methyl-1-pentyl-2H-pyrimidine?
The canonical SMILES for 6-methyl-1-pentyl-2H-pyrimidine is CCCCCN1CN=CC=C1C.
What is the InChIKey of 6-methyl-1-pentyl-2H-pyrimidine?
The InChIKey is NBKGYJQRGHFIGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-3-4-5-8-12-9-11-7-6-10(12)2/h6-7H,3-5,8-9H2,1-2H3.
What are the key properties of 6-methyl-1-pentyl-2H-pyrimidine?
6-methyl-1-pentyl-2H-pyrimidine has a molecular weight of 166.27 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-pentyl-2H-pyrimidine is sourced from PubChem (CID 175688589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).