1-[4-(diethylamino)-1,3,5-triazin-2-yl]-1,3-dimethylurea

C10H18N6O — CID 110189631

IUPAC1-[4-(diethylamino)-1,3,5-triazin-2-yl]-1,3-dimethylurea
SMILESCCN(CC)c1ncnc(N(C)C(=O)NC)n1
InChIInChI=1S/C10H18N6O/c1-5-16(6-2)9-13-7-12-8(14-9)15(4)10(17)11-3/h7H,5-6H2,1-4H3,(H,11,17)
InChIKeyJLPCMPAYXMSUPS-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.49
Rot. Bonds4

About 1-[4-(diethylamino)-1,3,5-triazin-2-yl]-1,3-dimethylurea

1-[4-(diethylamino)-1,3,5-triazin-2-yl]-1,3-dimethylurea (PubChem CID 110189631) has the molecular formula C10H18N6O and a molecular weight of 238.29 g/mol. Its IUPAC name is 1-[4-(diethylamino)-1,3,5-triazin-2-yl]-1,3-dimethylurea.

Molecular Properties

Compound Name1-[4-(diethylamino)-1,3,5-triazin-2-yl]-1,3-dimethylurea
PubChem CID110189631
Molecular FormulaC10H18N6O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name1-[4-(diethylamino)-1,3,5-triazin-2-yl]-1,3-dimethylurea
SMILESCCN(CC)c1ncnc(N(C)C(=O)NC)n1
InChIInChI=1S/C10H18N6O/c1-5-16(6-2)9-13-7-12-8(14-9)15(4)10(17)11-3/h7H,5-6H2,1-4H3,(H,11,17)
InChIKeyJLPCMPAYXMSUPS-UHFFFAOYSA-N
XLogP0.49
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(diethylamino)-1,3,5-triazin-2-yl]-1,3-dimethylurea?
The IUPAC name of 1-[4-(diethylamino)-1,3,5-triazin-2-yl]-1,3-dimethylurea (CID 110189631) is 1-[4-(diethylamino)-1,3,5-triazin-2-yl]-1,3-dimethylurea.
What is the SMILES notation for 1-[4-(diethylamino)-1,3,5-triazin-2-yl]-1,3-dimethylurea?
The canonical SMILES for 1-[4-(diethylamino)-1,3,5-triazin-2-yl]-1,3-dimethylurea is CCN(CC)c1ncnc(N(C)C(=O)NC)n1.
What is the InChIKey of 1-[4-(diethylamino)-1,3,5-triazin-2-yl]-1,3-dimethylurea?
The InChIKey is JLPCMPAYXMSUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N6O/c1-5-16(6-2)9-13-7-12-8(14-9)15(4)10(17)11-3/h7H,5-6H2,1-4H3,(H,11,17).
What are the key properties of 1-[4-(diethylamino)-1,3,5-triazin-2-yl]-1,3-dimethylurea?
1-[4-(diethylamino)-1,3,5-triazin-2-yl]-1,3-dimethylurea has a molecular weight of 238.29 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(diethylamino)-1,3,5-triazin-2-yl]-1,3-dimethylurea is sourced from PubChem (CID 110189631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).