4-(chloromethyl)-2-pentylpyrimidine

C10H15ClN2 — CID 66864551

IUPAC4-(chloromethyl)-2-pentylpyrimidine
SMILESCCCCCc1nccc(CCl)n1
InChIInChI=1S/C10H15ClN2/c1-2-3-4-5-10-12-7-6-9(8-11)13-10/h6-7H,2-5,8H2,1H3
InChIKeyLGXCBKRZSPWBKP-UHFFFAOYSA-N
MW198.70 g/mol
LogP2.95
Rot. Bonds5

About 4-(chloromethyl)-2-pentylpyrimidine

4-(chloromethyl)-2-pentylpyrimidine (PubChem CID 66864551) has the molecular formula C10H15ClN2 and a molecular weight of 198.70 g/mol. Its IUPAC name is 4-(chloromethyl)-2-pentylpyrimidine.

Molecular Properties

Compound Name4-(chloromethyl)-2-pentylpyrimidine
PubChem CID66864551
Molecular FormulaC10H15ClN2
Molecular Weight198.70 g/mol
Exact Mass198.09
IUPAC Name4-(chloromethyl)-2-pentylpyrimidine
SMILESCCCCCc1nccc(CCl)n1
InChIInChI=1S/C10H15ClN2/c1-2-3-4-5-10-12-7-6-9(8-11)13-10/h6-7H,2-5,8H2,1H3
InChIKeyLGXCBKRZSPWBKP-UHFFFAOYSA-N
XLogP2.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.70
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-pentylpyrimidine?
The IUPAC name of 4-(chloromethyl)-2-pentylpyrimidine (CID 66864551) is 4-(chloromethyl)-2-pentylpyrimidine.
What is the SMILES notation for 4-(chloromethyl)-2-pentylpyrimidine?
The canonical SMILES for 4-(chloromethyl)-2-pentylpyrimidine is CCCCCc1nccc(CCl)n1.
What is the InChIKey of 4-(chloromethyl)-2-pentylpyrimidine?
The InChIKey is LGXCBKRZSPWBKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN2/c1-2-3-4-5-10-12-7-6-9(8-11)13-10/h6-7H,2-5,8H2,1H3.
What are the key properties of 4-(chloromethyl)-2-pentylpyrimidine?
4-(chloromethyl)-2-pentylpyrimidine has a molecular weight of 198.70 g/mol, XLogP of 2.95, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-pentylpyrimidine is sourced from PubChem (CID 66864551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).