3-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylpropanamide

C12H22N6O2 — CID 106918542

IUPAC3-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylpropanamide
SMILESCCCNc1nc(OC)nc(N(C)CCC(=O)NC)n1
InChIInChI=1S/C12H22N6O2/c1-5-7-14-10-15-11(17-12(16-10)20-4)18(3)8-6-9(19)13-2/h5-8H2,1-4H3,(H,13,19)(H,14,15,16,17)
InChIKeyBAJGKABDYMRSEW-UHFFFAOYSA-N
MW282.35 g/mol
LogP0.27
Rot. Bonds8

About 3-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylpropanamide

3-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylpropanamide (PubChem CID 106918542) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylpropanamide
PubChem CID106918542
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name3-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylpropanamide
SMILESCCCNc1nc(OC)nc(N(C)CCC(=O)NC)n1
InChIInChI=1S/C12H22N6O2/c1-5-7-14-10-15-11(17-12(16-10)20-4)18(3)8-6-9(19)13-2/h5-8H2,1-4H3,(H,13,19)(H,14,15,16,17)
InChIKeyBAJGKABDYMRSEW-UHFFFAOYSA-N
XLogP0.27
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N-methylacetamide
CID 80808988
2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 80784036
2-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]-methylamino]ethanol
CID 80771509
6-ethoxy-2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80795623
methyl 2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetate
CID 80778176
6-methoxy-2-N-methyl-2-N-(3-methylbutan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80793517
N-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]acetamide
CID 80788626
6-methoxy-2-N-methyl-2-N-(4-methylpentan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80810740
6-ethoxy-2-N-(3-methoxypropyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80824057
2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide
CID 80904852
6-methoxy-2-N-methyl-2-N-[(5-methylfuran-2-yl)methyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773776
2-N-(2-methoxyethyl)-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80795524

Frequently Asked Questions

What is the IUPAC name of 3-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylpropanamide (CID 106918542) is 3-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylpropanamide is CCCNc1nc(OC)nc(N(C)CCC(=O)NC)n1.
What is the InChIKey of 3-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylpropanamide?
The InChIKey is BAJGKABDYMRSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-5-7-14-10-15-11(17-12(16-10)20-4)18(3)8-6-9(19)13-2/h5-8H2,1-4H3,(H,13,19)(H,14,15,16,17).
What are the key properties of 3-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylpropanamide?
3-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylpropanamide has a molecular weight of 282.35 g/mol, XLogP of 0.27, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]-methylamino]-N-methylpropanamide is sourced from PubChem (CID 106918542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).