6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine

C10H13ClF3N3OS — CID 106432075

IUPAC6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
SMILESCCOCc1nc(Cl)cc(NCCSC(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3OS/c1-2-18-6-9-16-7(11)5-8(17-9)15-3-4-19-10(12,13)14/h5H,2-4,6H2,1H3,(H,15,16,17)
InChIKeyKHHCSLAOMZCTTN-UHFFFAOYSA-N
MW315.75 g/mol
LogP3.33
Rot. Bonds7

About 6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine

6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine (PubChem CID 106432075) has the molecular formula C10H13ClF3N3OS and a molecular weight of 315.75 g/mol. Its IUPAC name is 6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
PubChem CID106432075
Molecular FormulaC10H13ClF3N3OS
Molecular Weight315.75 g/mol
Exact Mass315.04
IUPAC Name6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine
SMILESCCOCc1nc(Cl)cc(NCCSC(F)(F)F)n1
InChIInChI=1S/C10H13ClF3N3OS/c1-2-18-6-9-16-7(11)5-8(17-9)15-3-4-19-10(12,13)14/h5H,2-4,6H2,1H3,(H,15,16,17)
InChIKeyKHHCSLAOMZCTTN-UHFFFAOYSA-N
XLogP3.33
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.75
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-(ethoxymethyl)-N-(3-ethoxypropyl)pyrimidin-4-amine
CID 113400806
N-[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]-N',N'-diethylethane-1,2-diamine
CID 113400798
2-(methoxymethyl)-6-N-propyl-4-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidine-4,6-diamine
CID 106433968
6-chloro-2-(ethoxymethyl)-N-(2-propan-2-yloxyethyl)pyrimidin-4-amine
CID 113450725
6-chloro-2-(ethoxymethyl)-N-[(E)-pent-3-enyl]pyrimidin-4-amine
CID 106195868
6-chloro-2-(ethoxymethyl)-N-(4,4,4-trifluorobutan-2-yl)pyrimidin-4-amine
CID 114131045
4-[[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]methyl]phenol
CID 106196664
N-(2-but-3-enoxyethyl)-6-chloro-2-(ethoxymethyl)pyrimidin-4-amine
CID 114184791
4-[[6-chloro-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149272
6-chloro-N-(3-ethoxypropyl)-2-(methoxymethyl)pyrimidin-4-amine
CID 82463136
6-chloro-2-(ethoxymethyl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]pyrimidin-4-amine
CID 106038178
6-chloro-N-[2-(cyclopenten-1-yl)ethyl]-2-(ethoxymethyl)pyrimidin-4-amine
CID 106197293

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine (CID 106432075) is 6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine is CCOCc1nc(Cl)cc(NCCSC(F)(F)F)n1.
What is the InChIKey of 6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
The InChIKey is KHHCSLAOMZCTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3OS/c1-2-18-6-9-16-7(11)5-8(17-9)15-3-4-19-10(12,13)14/h5H,2-4,6H2,1H3,(H,15,16,17).
What are the key properties of 6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine?
6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine has a molecular weight of 315.75 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(ethoxymethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106432075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).