2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]acetamide

C11H18ClN5O2 — CID 55124911

IUPAC2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]acetamide
SMILESCCCOc1nc(Cl)nc(N(CC(N)=O)C(C)C)n1
InChIInChI=1S/C11H18ClN5O2/c1-4-5-19-11-15-9(12)14-10(16-11)17(7(2)3)6-8(13)18/h7H,4-6H2,1-3H3,(H2,13,18)
InChIKeyUTYQAYUXKGUCPU-UHFFFAOYSA-N
MW287.75 g/mol
LogP1.01
Rot. Bonds7

About 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]acetamide

2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]acetamide (PubChem CID 55124911) has the molecular formula C11H18ClN5O2 and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]acetamide
PubChem CID55124911
Molecular FormulaC11H18ClN5O2
Molecular Weight287.75 g/mol
Exact Mass287.11
IUPAC Name2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]acetamide
SMILESCCCOc1nc(Cl)nc(N(CC(N)=O)C(C)C)n1
InChIInChI=1S/C11H18ClN5O2/c1-4-5-19-11-15-9(12)14-10(16-11)17(7(2)3)6-8(13)18/h7H,4-6H2,1-3H3,(H2,13,18)
InChIKeyUTYQAYUXKGUCPU-UHFFFAOYSA-N
XLogP1.01
TPSA94.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[Methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide;propane
CID 156812729
2-[Methyl-[4-(4-propan-2-ylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide
CID 156812730
2-[[4-(2-Butoxyethoxy)-6-(4-propan-2-ylpiperazin-1-yl)-1,3,5-triazin-2-yl]-methylamino]acetamide
CID 161704344
2-[Methyl-[4-(4-methylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]amino]acetamide
CID 164565175
2-[[4-(4-Ethylpiperazin-1-yl)-6-(2-propoxyethoxy)-1,3,5-triazin-2-yl]-methylamino]acetamide
CID 172294640
(2R)-2-[(4,6-dichloro-1,3,5-triazin-2-yl)-ethylamino]propanamide
CID 172328820
(4S)-2-amino-3-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-4H-imidazol-5-one
CID 909993
(4R)-2-amino-3-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-4-methyl-4H-imidazol-5-one
CID 909994
2-Imino-1-[4-methoxy-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]-5-methylimidazolidin-4-one
CID 3644946
4-(4-Chloro-6-ethoxy-1,3,5-triazin-2-yl)piperazin-2-one
CID 55124176
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 55124276
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)-methylamino]-N-cyclopropylacetamide
CID 55124277

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]acetamide?
The IUPAC name of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]acetamide (CID 55124911) is 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]acetamide is CCCOc1nc(Cl)nc(N(CC(N)=O)C(C)C)n1.
What is the InChIKey of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]acetamide?
The InChIKey is UTYQAYUXKGUCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5O2/c1-4-5-19-11-15-9(12)14-10(16-11)17(7(2)3)6-8(13)18/h7H,4-6H2,1-3H3,(H2,13,18).
What are the key properties of 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]acetamide?
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]acetamide has a molecular weight of 287.75 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]acetamide is sourced from PubChem (CID 55124911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).