6-(3-chloropropylamino)-1,3,5-trimethylpyrimidine-2,4-dione

C10H16ClN3O2 — CID 18798239

IUPAC6-(3-chloropropylamino)-1,3,5-trimethylpyrimidine-2,4-dione
SMILESCc1c(NCCCCl)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H16ClN3O2/c1-7-8(12-6-4-5-11)13(2)10(16)14(3)9(7)15/h12H,4-6H2,1-3H3
InChIKeyULJOTCGTECXVCQ-UHFFFAOYSA-N
MW245.71 g/mol
LogP0.43
Rot. Bonds4

About 6-(3-chloropropylamino)-1,3,5-trimethylpyrimidine-2,4-dione

6-(3-chloropropylamino)-1,3,5-trimethylpyrimidine-2,4-dione (PubChem CID 18798239) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.71 g/mol. Its IUPAC name is 6-(3-chloropropylamino)-1,3,5-trimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3-chloropropylamino)-1,3,5-trimethylpyrimidine-2,4-dione
PubChem CID18798239
Molecular FormulaC10H16ClN3O2
Molecular Weight245.71 g/mol
Exact Mass245.09
IUPAC Name6-(3-chloropropylamino)-1,3,5-trimethylpyrimidine-2,4-dione
SMILESCc1c(NCCCCl)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C10H16ClN3O2/c1-7-8(12-6-4-5-11)13(2)10(16)14(3)9(7)15/h12H,4-6H2,1-3H3
InChIKeyULJOTCGTECXVCQ-UHFFFAOYSA-N
XLogP0.43
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-(3-chloropropylamino)-1,3,5-trimethylpyrimidine-2,4-dione?
The IUPAC name of 6-(3-chloropropylamino)-1,3,5-trimethylpyrimidine-2,4-dione (CID 18798239) is 6-(3-chloropropylamino)-1,3,5-trimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-(3-chloropropylamino)-1,3,5-trimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-(3-chloropropylamino)-1,3,5-trimethylpyrimidine-2,4-dione is Cc1c(NCCCCl)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-(3-chloropropylamino)-1,3,5-trimethylpyrimidine-2,4-dione?
The InChIKey is ULJOTCGTECXVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3O2/c1-7-8(12-6-4-5-11)13(2)10(16)14(3)9(7)15/h12H,4-6H2,1-3H3.
What are the key properties of 6-(3-chloropropylamino)-1,3,5-trimethylpyrimidine-2,4-dione?
6-(3-chloropropylamino)-1,3,5-trimethylpyrimidine-2,4-dione has a molecular weight of 245.71 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-chloropropylamino)-1,3,5-trimethylpyrimidine-2,4-dione is sourced from PubChem (CID 18798239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).