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

C11H19ClN6O — CID 80806563

IUPAC2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
SMILESCCCNc1nc(Cl)nc(N(CC(N)=O)C(C)C)n1
InChIInChI=1S/C11H19ClN6O/c1-4-5-14-10-15-9(12)16-11(17-10)18(7(2)3)6-8(13)19/h7H,4-6H2,1-3H3,(H2,13,19)(H,14,15,16,17)
InChIKeyUKCDFIZOIVJXRS-UHFFFAOYSA-N
MW286.77 g/mol
LogP1.05
Rot. Bonds7

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

2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide (PubChem CID 80806563) has the molecular formula C11H19ClN6O and a molecular weight of 286.77 g/mol. Its IUPAC name is 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
PubChem CID80806563
Molecular FormulaC11H19ClN6O
Molecular Weight286.77 g/mol
Exact Mass286.13
IUPAC Name2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
SMILESCCCNc1nc(Cl)nc(N(CC(N)=O)C(C)C)n1
InChIInChI=1S/C11H19ClN6O/c1-4-5-14-10-15-9(12)16-11(17-10)18(7(2)3)6-8(13)19/h7H,4-6H2,1-3H3,(H2,13,19)(H,14,15,16,17)
InChIKeyUKCDFIZOIVJXRS-UHFFFAOYSA-N
XLogP1.05
TPSA97.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.77
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80805912
6-chloro-2-N-ethyl-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774018
6-chloro-2-N-(2-methoxyethyl)-2-N-propan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 82953220
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]acetamide
CID 55124911
6-chloro-2-N-(2-methylpropyl)-2-N-pentan-3-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80838043
2-[[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80805678
2-[[2-amino-6-(propylamino)pyrimidin-4-yl]-propan-2-ylamino]acetamide
CID 80806397
2-[[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-methylamino]-N-propylacetamide
CID 80808415
4-chloro-6-ethyl-N-propyl-1,3,5-triazin-2-amine
CID 118932882
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide
CID 80805910
2-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]amino]propanamide
CID 80787461
3-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-propylpropanamide
CID 80819257

Frequently Asked Questions

What is the IUPAC name of 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide (CID 80806563) is 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide is CCCNc1nc(Cl)nc(N(CC(N)=O)C(C)C)n1.
What is the InChIKey of 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide?
The InChIKey is UKCDFIZOIVJXRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN6O/c1-4-5-14-10-15-9(12)16-11(17-10)18(7(2)3)6-8(13)19/h7H,4-6H2,1-3H3,(H2,13,19)(H,14,15,16,17).
What are the key properties of 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide?
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide has a molecular weight of 286.77 g/mol, XLogP of 1.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 80806563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).