acetamide;6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

C10H19ClN6O — CID 87097586

IUPACacetamide;6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(N)=O.CCNc1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C8H14ClN5.C2H5NO/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3;1-2(3)4/h5H,4H2,1-3H3,(H2,10,11,12,13,14);1H3,(H2,3,4)
InChIKeyUGGKXJODLVOGDB-UHFFFAOYSA-N
MW274.76 g/mol
LogP1.27
Rot. Bonds4

About acetamide;6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine

acetamide;6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (PubChem CID 87097586) has the molecular formula C10H19ClN6O and a molecular weight of 274.76 g/mol. Its IUPAC name is acetamide;6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Nameacetamide;6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
PubChem CID87097586
Molecular FormulaC10H19ClN6O
Molecular Weight274.76 g/mol
Exact Mass274.13
IUPAC Nameacetamide;6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
SMILESCC(N)=O.CCNc1nc(Cl)nc(NC(C)C)n1
InChIInChI=1S/C8H14ClN5.C2H5NO/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3;1-2(3)4/h5H,4H2,1-3H3,(H2,10,11,12,13,14);1H3,(H2,3,4)
InChIKeyUGGKXJODLVOGDB-UHFFFAOYSA-N
XLogP1.27
TPSA105.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.76
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of acetamide;6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of acetamide;6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine (CID 87097586) is acetamide;6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for acetamide;6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for acetamide;6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is CC(N)=O.CCNc1nc(Cl)nc(NC(C)C)n1.
What is the InChIKey of acetamide;6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is UGGKXJODLVOGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14ClN5.C2H5NO/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3;1-2(3)4/h5H,4H2,1-3H3,(H2,10,11,12,13,14);1H3,(H2,3,4).
What are the key properties of acetamide;6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine?
acetamide;6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 274.76 g/mol, XLogP of 1.27, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetamide;6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 87097586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).