6-chloro-4-N-(3-methoxypropyl)-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

C10H15ClF3N5O — CID 14822079

IUPAC6-chloro-4-N-(3-methoxypropyl)-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCOCCCNc1nc(Cl)nc(NC(C)C(F)(F)F)n1
InChIInChI=1S/C10H15ClF3N5O/c1-6(10(12,13)14)16-9-18-7(11)17-8(19-9)15-4-3-5-20-2/h6H,3-5H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyJDQHQINHMUKJSD-UHFFFAOYSA-N
MW313.71 g/mol
LogP2.34
Rot. Bonds7

About 6-chloro-4-N-(3-methoxypropyl)-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine

6-chloro-4-N-(3-methoxypropyl)-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 14822079) has the molecular formula C10H15ClF3N5O and a molecular weight of 313.71 g/mol. Its IUPAC name is 6-chloro-4-N-(3-methoxypropyl)-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-(3-methoxypropyl)-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID14822079
Molecular FormulaC10H15ClF3N5O
Molecular Weight313.71 g/mol
Exact Mass313.09
IUPAC Name6-chloro-4-N-(3-methoxypropyl)-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCOCCCNc1nc(Cl)nc(NC(C)C(F)(F)F)n1
InChIInChI=1S/C10H15ClF3N5O/c1-6(10(12,13)14)16-9-18-7(11)17-8(19-9)15-4-3-5-20-2/h6H,3-5H2,1-2H3,(H2,15,16,17,18,19)
InChIKeyJDQHQINHMUKJSD-UHFFFAOYSA-N
XLogP2.34
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.71
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-chloro-4-N-(3-methoxypropyl)-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-chloro-4-N-ethyl-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 14822093
6-chloro-2-N-(3-methoxypropyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80772028
6-chloro-4-N-[4-fluoro-2-(2-fluoroethyl)butyl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 163460730
6-chloro-2-N-(1-methoxypropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 21161219
6-chloro-2-N-(4-propan-2-yloxybutyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 106014722
2-[[4-chloro-6-(3-methoxypropylamino)-1,3,5-triazin-2-yl]amino]ethyl N-ethylcarbamate
CID 21434566
6-chloro-2-N-[2-[2-methoxyethyl(methyl)amino]ethyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80824728
2-N-butan-2-yl-6-chloro-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766369
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-1-ol
CID 106198836
6-chloro-4-N-cyclohexyl-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 162445329
6-chloro-4-N-methyl-2-N-(7-methyloctyl)-1,3,5-triazine-2,4-diamine
CID 107818923
6-chloro-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80769646

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-(3-methoxypropyl)-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-(3-methoxypropyl)-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine (CID 14822079) is 6-chloro-4-N-(3-methoxypropyl)-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-(3-methoxypropyl)-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-(3-methoxypropyl)-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is COCCCNc1nc(Cl)nc(NC(C)C(F)(F)F)n1.
What is the InChIKey of 6-chloro-4-N-(3-methoxypropyl)-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is JDQHQINHMUKJSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF3N5O/c1-6(10(12,13)14)16-9-18-7(11)17-8(19-9)15-4-3-5-20-2/h6H,3-5H2,1-2H3,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-4-N-(3-methoxypropyl)-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-(3-methoxypropyl)-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 313.71 g/mol, XLogP of 2.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-(3-methoxypropyl)-2-N-(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14822079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).