1,3,5-trimethyl-6-(3-chloropropylamino)-2,4(1H,3H)-pyrimidinedione

C10H16ClN3O2 — CID 18798239

IUPAC6-(3-chloropropylamino)-1,3,5-trimethylpyrimidine-2,4-dione
SMILESCC1=C(N(C(=O)N(C1=O)C)C)NCCCCl
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
MW245.70 g/mol
LogP0.90
Rot. Bonds4

About 1,3,5-trimethyl-6-(3-chloropropylamino)-2,4(1H,3H)-pyrimidinedione

1,3,5-trimethyl-6-(3-chloropropylamino)-2,4(1H,3H)-pyrimidinedione (PubChem CID 18798239) has the molecular formula C10H16ClN3O2 and a molecular weight of 245.70 g/mol. Its IUPAC name is 6-(3-chloropropylamino)-1,3,5-trimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1,3,5-trimethyl-6-(3-chloropropylamino)-2,4(1H,3H)-pyrimidinedione
PubChem CID18798239
Molecular FormulaC10H16ClN3O2
Molecular Weight245.70 g/mol
Exact Mass245.09
IUPAC Name6-(3-chloropropylamino)-1,3,5-trimethylpyrimidine-2,4-dione
SMILESCC1=C(N(C(=O)N(C1=O)C)C)NCCCCl
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
XLogP0.90
TPSA52.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity341

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.70
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 1,3,5-trimethyl-6-(3-chloropropylamino)-2,4(1H,3H)-pyrimidinedione?
The IUPAC name of 1,3,5-trimethyl-6-(3-chloropropylamino)-2,4(1H,3H)-pyrimidinedione (CID 18798239) is 6-(3-chloropropylamino)-1,3,5-trimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1,3,5-trimethyl-6-(3-chloropropylamino)-2,4(1H,3H)-pyrimidinedione?
The canonical SMILES for 1,3,5-trimethyl-6-(3-chloropropylamino)-2,4(1H,3H)-pyrimidinedione is CC1=C(N(C(=O)N(C1=O)C)C)NCCCCl.
What is the InChIKey of 1,3,5-trimethyl-6-(3-chloropropylamino)-2,4(1H,3H)-pyrimidinedione?
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 1,3,5-trimethyl-6-(3-chloropropylamino)-2,4(1H,3H)-pyrimidinedione?
1,3,5-trimethyl-6-(3-chloropropylamino)-2,4(1H,3H)-pyrimidinedione has a molecular weight of 245.70 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-6-(3-chloropropylamino)-2,4(1H,3H)-pyrimidinedione is sourced from PubChem (CID 18798239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).