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

C12H21ClN6O — CID 80819257

IUPAC3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(Cl)nc(NCCC)n1
InChIInChI=1S/C12H21ClN6O/c1-3-6-14-9(20)5-8-16-12-18-10(13)17-11(19-12)15-7-4-2/h3-8H2,1-2H3,(H,14,20)(H2,15,16,17,18,19)
InChIKeySAUMVZSTAPQKRE-UHFFFAOYSA-N
MW300.79 g/mol
LogP1.68
Rot. Bonds9

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

3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide (PubChem CID 80819257) has the molecular formula C12H21ClN6O and a molecular weight of 300.79 g/mol. Its IUPAC name is 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide.

Molecular Properties

Compound Name3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide
PubChem CID80819257
Molecular FormulaC12H21ClN6O
Molecular Weight300.79 g/mol
Exact Mass300.15
IUPAC Name3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide
SMILESCCCNC(=O)CCNc1nc(Cl)nc(NCCC)n1
InChIInChI=1S/C12H21ClN6O/c1-3-6-14-9(20)5-8-16-12-18-10(13)17-11(19-12)15-7-4-2/h3-8H2,1-2H3,(H,14,20)(H2,15,16,17,18,19)
InChIKeySAUMVZSTAPQKRE-UHFFFAOYSA-N
XLogP1.68
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]-N-propylpropanamide
CID 62863465
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-ethylacetamide
CID 80786907
3-[[6-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819138
N-tert-butyl-3-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]propanamide
CID 113410956
4-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-cyclopropylbutanamide
CID 80836242
3-[(2,5-dichloropyrimidin-4-yl)amino]-N-propylpropanamide
CID 79632812
N-propyl-3-[[6-(propylamino)-2-pyridinyl]amino]propanamide
CID 80819033
3-[(2-chloroquinazolin-4-yl)amino]-N-propylpropanamide
CID 62477007
2-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]amino]-N-propylacetamide
CID 62864039
3-[[5-methyl-2-(propylamino)pyrimidin-4-yl]amino]-N-propylpropanamide
CID 80819690
5-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]pentan-1-ol
CID 107324197
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide
CID 80808415

Frequently Asked Questions

What is the IUPAC name of 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide?
The IUPAC name of 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide (CID 80819257) is 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide.
What is the SMILES notation for 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide?
The canonical SMILES for 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide is CCCNC(=O)CCNc1nc(Cl)nc(NCCC)n1.
What is the InChIKey of 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide?
The InChIKey is SAUMVZSTAPQKRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN6O/c1-3-6-14-9(20)5-8-16-12-18-10(13)17-11(19-12)15-7-4-2/h3-8H2,1-2H3,(H,14,20)(H2,15,16,17,18,19).
What are the key properties of 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide?
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide has a molecular weight of 300.79 g/mol, XLogP of 1.68, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide is sourced from PubChem (CID 80819257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).