2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide

C12H19ClN6O2 — CID 62864568

IUPAC2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C12H19ClN6O2/c1-8(2)15-9(20)7-14-11-16-10(13)17-12(18-11)19-3-5-21-6-4-19/h8H,3-7H2,1-2H3,(H,15,20)(H,14,16,17,18)
InChIKeyOJCVMXIKSQTYOY-UHFFFAOYSA-N
MW314.78 g/mol
LogP0.30
Rot. Bonds5

About 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide

2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide (PubChem CID 62864568) has the molecular formula C12H19ClN6O2 and a molecular weight of 314.78 g/mol. Its IUPAC name is 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
PubChem CID62864568
Molecular FormulaC12H19ClN6O2
Molecular Weight314.78 g/mol
Exact Mass314.13
IUPAC Name2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CNc1nc(Cl)nc(N2CCOCC2)n1
InChIInChI=1S/C12H19ClN6O2/c1-8(2)15-9(20)7-14-11-16-10(13)17-12(18-11)19-3-5-21-6-4-19/h8H,3-7H2,1-2H3,(H,15,20)(H,14,16,17,18)
InChIKeyOJCVMXIKSQTYOY-UHFFFAOYSA-N
XLogP0.30
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide with MolForge

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Related Compounds

2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-ethylacetamide
CID 62863353
1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 55125040
4-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol
CID 64913356
4-chloro-6-morpholin-4-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 759895
N-(2-bromoprop-2-enyl)-4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 114156784
1-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]butan-2-ol
CID 113492552
3-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-2-hydroxypropanamide
CID 106178654
2-[[4-chloro-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]amino]-N-propan-2-ylacetamide
CID 62864218
2-[(4-chloro-6-imidazol-1-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide
CID 62864217
4-chloro-N-(2,2-dimethoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 106197141
2-[(4,6-dimorpholin-4-yl-1,3,5-triazin-2-yl)amino]acetic acid
CID 4767395
4-chloro-N-(2-methoxyethyl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 62868206

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide (CID 62864568) is 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CNc1nc(Cl)nc(N2CCOCC2)n1.
What is the InChIKey of 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide?
The InChIKey is OJCVMXIKSQTYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN6O2/c1-8(2)15-9(20)7-14-11-16-10(13)17-12(18-11)19-3-5-21-6-4-19/h8H,3-7H2,1-2H3,(H,15,20)(H,14,16,17,18).
What are the key properties of 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide?
2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide has a molecular weight of 314.78 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 62864568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).