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

C9H15ClN6O — CID 80805912

IUPAC2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
SMILESCNc1nc(Cl)nc(N(CC(N)=O)C(C)C)n1
InChIInChI=1S/C9H15ClN6O/c1-5(2)16(4-6(11)17)9-14-7(10)13-8(12-3)15-9/h5H,4H2,1-3H3,(H2,11,17)(H,12,13,14,15)
InChIKeyIEINMHAPWGONFV-UHFFFAOYSA-N
MW258.71 g/mol
LogP0.27
Rot. Bonds5

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

2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide (PubChem CID 80805912) has the molecular formula C9H15ClN6O and a molecular weight of 258.71 g/mol. Its IUPAC name is 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
PubChem CID80805912
Molecular FormulaC9H15ClN6O
Molecular Weight258.71 g/mol
Exact Mass258.10
IUPAC Name2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
SMILESCNc1nc(Cl)nc(N(CC(N)=O)C(C)C)n1
InChIInChI=1S/C9H15ClN6O/c1-5(2)16(4-6(11)17)9-14-7(10)13-8(12-3)15-9/h5H,4H2,1-3H3,(H2,11,17)(H,12,13,14,15)
InChIKeyIEINMHAPWGONFV-UHFFFAOYSA-N
XLogP0.27
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80806563
2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80805678
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]acetamide
CID 55124911
6-chloro-4-N-methyl-2-N-pentyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80809869
3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]propanenitrile
CID 80810624
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-pentan-3-ylamino]ethanol
CID 80810701
2-[[5-bromo-2-(methylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide
CID 80805687
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]-N-ethylacetamide
CID 80805489
2-[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-(2-methylpropyl)amino]acetamide
CID 80821043
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80805910
2-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]-propan-2-ylamino]acetamide
CID 103326354
6-chloro-2-N-ethyl-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774018

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide (CID 80805912) is 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide is CNc1nc(Cl)nc(N(CC(N)=O)C(C)C)n1.
What is the InChIKey of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide?
The InChIKey is IEINMHAPWGONFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN6O/c1-5(2)16(4-6(11)17)9-14-7(10)13-8(12-3)15-9/h5H,4H2,1-3H3,(H2,11,17)(H,12,13,14,15).
What are the key properties of 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide?
2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide has a molecular weight of 258.71 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 80805912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).