4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide

C12H19ClN6O — CID 79401202

IUPAC4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide
SMILESCN(C)c1nc(Cl)nc(NCCCC(=O)NC2CC2)n1
InChIInChI=1S/C12H19ClN6O/c1-19(2)12-17-10(13)16-11(18-12)14-7-3-4-9(20)15-8-5-6-8/h8H,3-7H2,1-2H3,(H,15,20)(H,14,16,17,18)
InChIKeyXKGSZOBVJOSJFU-UHFFFAOYSA-N
MW298.78 g/mol
LogP1.06
Rot. Bonds7

About 4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide

4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide (PubChem CID 79401202) has the molecular formula C12H19ClN6O and a molecular weight of 298.78 g/mol. Its IUPAC name is 4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide
PubChem CID79401202
Molecular FormulaC12H19ClN6O
Molecular Weight298.78 g/mol
Exact Mass298.13
IUPAC Name4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide
SMILESCN(C)c1nc(Cl)nc(NCCCC(=O)NC2CC2)n1
InChIInChI=1S/C12H19ClN6O/c1-19(2)12-17-10(13)16-11(18-12)14-7-3-4-9(20)15-8-5-6-8/h8H,3-7H2,1-2H3,(H,15,20)(H,14,16,17,18)
InChIKeyXKGSZOBVJOSJFU-UHFFFAOYSA-N
XLogP1.06
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide
CID 80836242
3-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylpropanamide
CID 80849955
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-cyclopropylacetamide
CID 80820490
N-cyclopropyl-2-[[4-(dimethylamino)-6-propan-2-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 133432157
4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide
CID 78918775
N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide
CID 112703121
4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]-N-cyclopropylbutanamide
CID 103322070
N-cyclopropyl-4-[(3,5,6-trichloro-2-pyridinyl)amino]butanamide
CID 102751454
N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide
CID 79393988
4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide
CID 116796107
2-[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]-N-cyclopropylacetamide
CID 80792553
6-chloro-4-N-(2-ethoxyethyl)-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 62865096

Frequently Asked Questions

What is the IUPAC name of 4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide (CID 79401202) is 4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide is CN(C)c1nc(Cl)nc(NCCCC(=O)NC2CC2)n1.
What is the InChIKey of 4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide?
The InChIKey is XKGSZOBVJOSJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN6O/c1-19(2)12-17-10(13)16-11(18-12)14-7-3-4-9(20)15-8-5-6-8/h8H,3-7H2,1-2H3,(H,15,20)(H,14,16,17,18).
What are the key properties of 4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide?
4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide has a molecular weight of 298.78 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 79401202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).