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

C12H21ClN6O — CID 62863117

IUPACN-butan-2-yl-3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide
SMILESCCC(C)NC(=O)CCNc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C12H21ClN6O/c1-5-8(2)15-9(20)6-7-14-11-16-10(13)17-12(18-11)19(3)4/h8H,5-7H2,1-4H3,(H,15,20)(H,14,16,17,18)
InChIKeyNFSHGVGNAIUQHV-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.31
Rot. Bonds7

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

N-butan-2-yl-3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide (PubChem CID 62863117) has the molecular formula C12H21ClN6O and a molecular weight of 300.79 g/mol. Its IUPAC name is N-butan-2-yl-3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide
PubChem CID62863117
Molecular FormulaC12H21ClN6O
Molecular Weight300.79 g/mol
Exact Mass300.15
IUPAC NameN-butan-2-yl-3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide
SMILESCCC(C)NC(=O)CCNc1nc(Cl)nc(N(C)C)n1
InChIInChI=1S/C12H21ClN6O/c1-5-8(2)15-9(20)6-7-14-11-16-10(13)17-12(18-11)19(3)4/h8H,5-7H2,1-4H3,(H,15,20)(H,14,16,17,18)
InChIKeyNFSHGVGNAIUQHV-UHFFFAOYSA-N
XLogP1.31
TPSA83.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide (CID 62863117) is N-butan-2-yl-3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide is CCC(C)NC(=O)CCNc1nc(Cl)nc(N(C)C)n1.
What is the InChIKey of N-butan-2-yl-3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide?
The InChIKey is NFSHGVGNAIUQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN6O/c1-5-8(2)15-9(20)6-7-14-11-16-10(13)17-12(18-11)19(3)4/h8H,5-7H2,1-4H3,(H,15,20)(H,14,16,17,18).
What are the key properties of N-butan-2-yl-3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide?
N-butan-2-yl-3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide has a molecular weight of 300.79 g/mol, XLogP of 1.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[[4-chloro-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]propanamide is sourced from PubChem (CID 62863117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).