2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide

C10H16ClN5O2 — CID 62863572

IUPAC2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C10H16ClN5O2/c1-5(2)18-10-15-8(11)14-9(16-10)13-6(3)7(17)12-4/h5-6H,1-4H3,(H,12,17)(H,13,14,15,16)
InChIKeyYVILQOCSZMGQSC-UHFFFAOYSA-N
MW273.72 g/mol
LogP0.86
Rot. Bonds5

About 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide

2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide (PubChem CID 62863572) has the molecular formula C10H16ClN5O2 and a molecular weight of 273.72 g/mol. Its IUPAC name is 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
PubChem CID62863572
Molecular FormulaC10H16ClN5O2
Molecular Weight273.72 g/mol
Exact Mass273.10
IUPAC Name2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
SMILESCNC(=O)C(C)Nc1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C10H16ClN5O2/c1-5(2)18-10-15-8(11)14-9(16-10)13-6(3)7(17)12-4/h5-6H,1-4H3,(H,12,17)(H,13,14,15,16)
InChIKeyYVILQOCSZMGQSC-UHFFFAOYSA-N
XLogP0.86
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.72
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 62857824
2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide
CID 80897303
2-[[4,6-bis(methylamino)-1,3,5-triazin-2-yl]amino]-N-methylpropanamide
CID 135042322
4-chloro-N-(1-ethylsulfanylpropan-2-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 113499303
4-chloro-N-[1-(2-chlorophenyl)ethyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863071
4-chloro-N-(1-phenylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62864367
4-chloro-N-(4-methoxyphenyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62870184
N-ethyl-N-methyl-2-[[4-(methylamino)-6-propan-2-yloxy-1,3,5-triazin-2-yl]amino]propanamide
CID 103113878
ethyl 2-[(4-hydrazinyl-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]propanoate
CID 80897794
N-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-N',N'-dimethylethane-1,2-diamine
CID 62869366
4-chloro-N-(1,1-dioxothian-4-yl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62865280
4-chloro-N-(3-methylsulfonylpropyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 62863284

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
The IUPAC name of 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide (CID 62863572) is 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide.
What is the SMILES notation for 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
The canonical SMILES for 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide is CNC(=O)C(C)Nc1nc(Cl)nc(OC(C)C)n1.
What is the InChIKey of 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
The InChIKey is YVILQOCSZMGQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5O2/c1-5(2)18-10-15-8(11)14-9(16-10)13-6(3)7(17)12-4/h5-6H,1-4H3,(H,12,17)(H,13,14,15,16).
What are the key properties of 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide?
2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide has a molecular weight of 273.72 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)amino]-N-methylpropanamide is sourced from PubChem (CID 62863572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).