N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine

C7H10ClF2N5O — CID 114384320

IUPACN'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine
SMILESCOc1nc(Cl)nc(NCC(F)(F)CN)n1
InChIInChI=1S/C7H10ClF2N5O/c1-16-6-14-4(8)13-5(15-6)12-3-7(9,10)2-11/h2-3,11H2,1H3,(H,12,13,14,15)
InChIKeyVAQNBODLPWTFDV-UHFFFAOYSA-N
MW253.64 g/mol
LogP0.54
Rot. Bonds5

About N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine

N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine (PubChem CID 114384320) has the molecular formula C7H10ClF2N5O and a molecular weight of 253.64 g/mol. Its IUPAC name is N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine
PubChem CID114384320
Molecular FormulaC7H10ClF2N5O
Molecular Weight253.64 g/mol
Exact Mass253.05
IUPAC NameN'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine
SMILESCOc1nc(Cl)nc(NCC(F)(F)CN)n1
InChIInChI=1S/C7H10ClF2N5O/c1-16-6-14-4(8)13-5(15-6)12-3-7(9,10)2-11/h2-3,11H2,1H3,(H,12,13,14,15)
InChIKeyVAQNBODLPWTFDV-UHFFFAOYSA-N
XLogP0.54
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.64
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine with MolForge

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Related Compounds

2-N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2-methylpropane-1,2-diamine
CID 63194425
N'-(4,6-dimethoxypyrimidin-2-yl)-2,2-difluoropropane-1,3-diamine
CID 114384443
4-hydrazinyl-6-methoxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80943261
2-[2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 62858323
6-methoxy-2-N-(2-methoxy-2-methylpropyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 104767298
3-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]propanoic acid
CID 62859297
N-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2-dimethylpropane-1,3-diamine
CID 115303010
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpropanamide
CID 62858479
4-chloro-N-(2-methoxy-2-methylpropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 104764536
4-chloro-N-(3-cyclopentylpropyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114137248
CID 175413683
CID 175413683
4-chloro-6-methoxy-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1,3,5-triazin-2-amine
CID 62859664

Frequently Asked Questions

What is the IUPAC name of N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine?
The IUPAC name of N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine (CID 114384320) is N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine.
What is the SMILES notation for N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine?
The canonical SMILES for N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine is COc1nc(Cl)nc(NCC(F)(F)CN)n1.
What is the InChIKey of N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine?
The InChIKey is VAQNBODLPWTFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF2N5O/c1-16-6-14-4(8)13-5(15-6)12-3-7(9,10)2-11/h2-3,11H2,1H3,(H,12,13,14,15).
What are the key properties of N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine?
N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine has a molecular weight of 253.64 g/mol, XLogP of 0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-2,2-difluoropropane-1,3-diamine is sourced from PubChem (CID 114384320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).