4-chloro-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine

C10H13ClN4O2 — CID 4221315

IUPAC4-chloro-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine
SMILESCc1nc(Cl)c([N+](=O)[O-])c(N2CCCCC2)n1
InChIInChI=1S/C10H13ClN4O2/c1-7-12-9(11)8(15(16)17)10(13-7)14-5-3-2-4-6-14/h2-6H2,1H3
InChIKeyVSFBBPYDSSERAW-UHFFFAOYSA-N
MW256.69 g/mol
LogP2.34
Rot. Bonds2

About 4-chloro-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine

4-chloro-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine (PubChem CID 4221315) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 4-chloro-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine
PubChem CID4221315
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name4-chloro-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine
SMILESCc1nc(Cl)c([N+](=O)[O-])c(N2CCCCC2)n1
InChIInChI=1S/C10H13ClN4O2/c1-7-12-9(11)8(15(16)17)10(13-7)14-5-3-2-4-6-14/h2-6H2,1H3
InChIKeyVSFBBPYDSSERAW-UHFFFAOYSA-N
XLogP2.34
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine?
The IUPAC name of 4-chloro-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine (CID 4221315) is 4-chloro-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine?
The canonical SMILES for 4-chloro-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine is Cc1nc(Cl)c([N+](=O)[O-])c(N2CCCCC2)n1.
What is the InChIKey of 4-chloro-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine?
The InChIKey is VSFBBPYDSSERAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-7-12-9(11)8(15(16)17)10(13-7)14-5-3-2-4-6-14/h2-6H2,1H3.
What are the key properties of 4-chloro-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine?
4-chloro-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine has a molecular weight of 256.69 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-5-nitro-6-piperidin-1-ylpyrimidine is sourced from PubChem (CID 4221315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).