2-ethyl-3-pentyl-4H-pyrimidine

C11H20N2 — CID 173022705

IUPAC2-ethyl-3-pentyl-4H-pyrimidine
SMILESCCCCCN1CC=CN=C1CC
InChIInChI=1S/C11H20N2/c1-3-5-6-9-13-10-7-8-12-11(13)4-2/h7-8H,3-6,9-10H2,1-2H3
InChIKeyIVJPNBFVSAYOSS-UHFFFAOYSA-N
MW180.30 g/mol
LogP2.81
Rot. Bonds5

About 2-ethyl-3-pentyl-4H-pyrimidine

2-ethyl-3-pentyl-4H-pyrimidine (PubChem CID 173022705) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 2-ethyl-3-pentyl-4H-pyrimidine.

Molecular Properties

Compound Name2-ethyl-3-pentyl-4H-pyrimidine
PubChem CID173022705
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name2-ethyl-3-pentyl-4H-pyrimidine
SMILESCCCCCN1CC=CN=C1CC
InChIInChI=1S/C11H20N2/c1-3-5-6-9-13-10-7-8-12-11(13)4-2/h7-8H,3-6,9-10H2,1-2H3
InChIKeyIVJPNBFVSAYOSS-UHFFFAOYSA-N
XLogP2.81
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.81
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

1-(2H-pyridin-1-yl)-N-(trifluoromethyl)pentan-1-imine
CID 175548262
1,3-dihexyl-4H-pyrimidin-3-ium
CID 23148555
2-Ethyl-1-methyl-1,4-dihydropyrimidine
CID 45087198
1-Ethyl-2-methyl-1,4-dihydropyrimidine
CID 45087199
3-(3-methyl-4H-pyrimidin-2-yl)propan-1-amine
CID 54100951
Pyrantel Embonate Impurity I
CID 54555363
6,7,8,9-Tetrahydro-4H-pyrido[1,2-a]pyrimidine
CID 56972767
4,6,7,8,9,10-Hexahydropyrimido[1,2-a]azepine
CID 58926906
3-ethyl-2-methyl-4H-pyrimidine
CID 66729714
3-hexyl-1-propyl-4H-pyrimidin-3-ium
CID 66763800
1-[(E)-but-2-enyl]-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium
CID 66808279
1-But-2-enyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepin-5-ium
CID 66808280

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-pentyl-4H-pyrimidine?
The IUPAC name of 2-ethyl-3-pentyl-4H-pyrimidine (CID 173022705) is 2-ethyl-3-pentyl-4H-pyrimidine.
What is the SMILES notation for 2-ethyl-3-pentyl-4H-pyrimidine?
The canonical SMILES for 2-ethyl-3-pentyl-4H-pyrimidine is CCCCCN1CC=CN=C1CC.
What is the InChIKey of 2-ethyl-3-pentyl-4H-pyrimidine?
The InChIKey is IVJPNBFVSAYOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-3-5-6-9-13-10-7-8-12-11(13)4-2/h7-8H,3-6,9-10H2,1-2H3.
What are the key properties of 2-ethyl-3-pentyl-4H-pyrimidine?
2-ethyl-3-pentyl-4H-pyrimidine has a molecular weight of 180.30 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-pentyl-4H-pyrimidine is sourced from PubChem (CID 173022705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).